(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate
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![(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/082d99ed601d4bcc9ddd702c36d9109e.png "(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate")
(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate
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CAS No:
1092939-15-5
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Formula:
C17H18N6.C4H4O4
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Chemical Name:
(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate
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Synonyms:
(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate;(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile maleate;β-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)-(βR)-1H-pyrazole-1-propanenitrile, (2Z)-2-butenedioate);INCB018424 Maleic acid;WOJBKXOVBVZSET-HFNHQGOYSA-N
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CAS No:
(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate Basic Attributes
422.43718
422.17000
Computed Properties
Molecular Weight:422.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:422.17025320
Monoisotopic Mass:422.17025320
Topological Polar Surface Area:158
Heavy Atom Count:31
Complexity:572
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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(betaR)-beta-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazole-1-propanenitrile (2Z)-2-butenedioate
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