4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile

C36H36F2N8O — CID 178020710

IUPAC4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1noc(C)c1-c1nn(C2CCN(C)CC2)c2nc(CC(C)C)c(C#N)c(-c3ccc4c(cnn4Cc4ccc(F)c(F)c4)c3)c12
InChIInChI=1S/C36H36F2N8O/c1-20(2)14-30-27(17-39)33(24-7-9-31-25(16-24)18-40-45(31)19-23-6-8-28(37)29(38)15-23)34-35(32-21(3)43-47-22(32)4)42-46(36(34)41-30)26-10-12-44(5)13-11-26/h6-9,15-16,18,20,26H,10-14,19H2,1-5H3
InChIKeyFVYQLYFTNKJJTO-UHFFFAOYSA-N
MW634.74 g/mol
LogP7.38
Rot. Bonds7

About 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile

4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 178020710) has the molecular formula C36H36F2N8O and a molecular weight of 634.74 g/mol. Its IUPAC name is 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID178020710
Molecular FormulaC36H36F2N8O
Molecular Weight634.74 g/mol
Exact Mass634.30
IUPAC Name4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCc1noc(C)c1-c1nn(C2CCN(C)CC2)c2nc(CC(C)C)c(C#N)c(-c3ccc4c(cnn4Cc4ccc(F)c(F)c4)c3)c12
InChIInChI=1S/C36H36F2N8O/c1-20(2)14-30-27(17-39)33(24-7-9-31-25(16-24)18-40-45(31)19-23-6-8-28(37)29(38)15-23)34-35(32-21(3)43-47-22(32)4)42-46(36(34)41-30)26-10-12-44(5)13-11-26/h6-9,15-16,18,20,26H,10-14,19H2,1-5H3
InChIKeyFVYQLYFTNKJJTO-UHFFFAOYSA-N
XLogP7.38
TPSA101.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.74
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Dimethyl-4-[phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011485
CID 44181357
CID 44181357
1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[(3S)-3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 162659992
US10294229, Example 422
CID 124160143
US10294229, Example 421
CID 124160604
US10131670, Example 18
CID 134608144
US10131670, Example 35
CID 134608148
US10294229, Example 407
CID 124160409
US10294229, Example 412
CID 124160198
US10294229, Example 403
CID 124160234
US10294229, Example 414
CID 124160329
US10294229, Example 417
CID 124160375

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 178020710) is 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile is Cc1noc(C)c1-c1nn(C2CCN(C)CC2)c2nc(CC(C)C)c(C#N)c(-c3ccc4c(cnn4Cc4ccc(F)c(F)c4)c3)c12.
What is the InChIKey of 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is FVYQLYFTNKJJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F2N8O/c1-20(2)14-30-27(17-39)33(24-7-9-31-25(16-24)18-40-45(31)19-23-6-8-28(37)29(38)15-23)34-35(32-21(3)43-47-22(32)4)42-46(36(34)41-30)26-10-12-44(5)13-11-26/h6-9,15-16,18,20,26H,10-14,19H2,1-5H3.
What are the key properties of 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile?
4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 634.74 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-difluorophenyl)methyl]indazol-5-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methylpiperidin-4-yl)-6-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 178020710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).