4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile
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![4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3c9a59db813c472f8ad8769f2bcc464a.png "4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile")
4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile
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CAS No:
85124-14-7
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Formula:
C16H20IN3O2
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Chemical Name:
4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile
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Synonyms:
1H-Indole-2-carbonitrile,4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-;4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile;ICYP;Iodocyanopindolol;3-Iodocyanopindolol;94036-10-9
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CAS No:
Description
Iodocyanopindolol is an indole that is 1H-indole substituted at positions 2, 3 and 7 by cyano, iodo and 3-(tert-butylamino)-2-hydroxypropoxy groups respectively. It has a role as a beta-adrenergic antagonist and a serotonergic antagonist. It is a member of indoles, a nitrile, an organoiodine compound, an aromatic ether, a secondary alcohol and a secondary amino compound.
4-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile Basic Attributes
413.25 g/mol
413.25
JG83U2H5YQ
Computed Properties
Molecular Weight:413.25
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:413.06002
Monoisotopic Mass:413.06002
Topological Polar Surface Area:81.1
Heavy Atom Count:22
Complexity:417
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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