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3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[

3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[ structure

CAS No:
1022150-12-4
Formula:
C22H22N6O
Chemical Name:
3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[
Synonyms:
(R)-3-(4-Phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyra
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Btk inhibitor 1 R enantiomer is a pyrazolo[3,4-d]pyrimidine derivative as a Btk kinase inhibitor.IC50 value:Target: BtkFrom PCT Int. Appl. (2012), WO 2012158843 A2 20121122.

3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[ Basic Attributes

Molecular Weight：

386.45

Exact Mass：

386.185516

Characteristics

PSA：

90.9

XLogP3：

3.1

Density：

1.4±0.1 g/cm3

Flash Point：

332.6±31.5 °C

Refractive Index：

1.731

Computed Properties

Molecular Weight:386.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:386.18550935
Monoisotopic Mass:386.18550935
Topological Polar Surface Area:90.9
Heavy Atom Count:29
Complexity:521
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(4-Phenoxy-phenyl)-1-piperidin-3-yl-1H-pyrazolo[

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Basic Attributes
Characteristics
Computed Properties
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