4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C30H31N7S — CID 171848370

IUPAC4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccccc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(NCC2(C)CC2)CC1
InChIInChI=1S/C30H31N7S/c1-20-26(17-35-37(20)25-9-7-24(8-10-25)33-19-30(2)11-12-30)22-13-28(29-23(15-32)16-34-36(29)18-22)38-27-6-4-3-5-21(27)14-31/h3-6,13,16-18,24-25,33H,7-12,19H2,1-2H3
InChIKeyJASABGDRHUJSEM-UHFFFAOYSA-N
MW521.69 g/mol
LogP6.27
Rot. Bonds7

About 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848370) has the molecular formula C30H31N7S and a molecular weight of 521.69 g/mol. Its IUPAC name is 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848370
Molecular FormulaC30H31N7S
Molecular Weight521.69 g/mol
Exact Mass521.24
IUPAC Name4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccccc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(NCC2(C)CC2)CC1
InChIInChI=1S/C30H31N7S/c1-20-26(17-35-37(20)25-9-7-24(8-10-25)33-19-30(2)11-12-30)22-13-28(29-23(15-32)16-34-36(29)18-22)38-27-6-4-3-5-21(27)14-31/h3-6,13,16-18,24-25,33H,7-12,19H2,1-2H3
InChIKeyJASABGDRHUJSEM-UHFFFAOYSA-N
XLogP6.27
TPSA94.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.69
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

tert-butyl N-[4-[4-[3-cyano-4-(2-cyanophenyl)sulfanylpyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]carbamate
CID 171847379
4-(2-cyano-4-methylphenyl)sulfanyl-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847257
4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848267
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[(3R)-5,5-dimethylpyrrolidin-3-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847843
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(4S)-1,2,2-trimethylpiperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847807
4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848290
4-[(3,5-difluoro-6-methyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848159
N-[2-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-1-methylcyclohexyl]ethyl]-N-methylacetamide
CID 175632294
4-[2-fluoro-6-(methylamino)phenyl]sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175631745
6-[1-[4-(dimethylamino)cyclohexyl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847301
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847296
[4-[4-[3-cyano-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]cyclohexyl] nitro hydrogen phosphate;niobium
CID 171848410

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848370) is 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccccc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(NCC2(C)CC2)CC1.
What is the InChIKey of 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JASABGDRHUJSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7S/c1-20-26(17-35-37(20)25-9-7-24(8-10-25)33-19-30(2)11-12-30)22-13-28(29-23(15-32)16-34-36(29)18-22)38-27-6-4-3-5-21(27)14-31/h3-6,13,16-18,24-25,33H,7-12,19H2,1-2H3.
What are the key properties of 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 521.69 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanophenyl)sulfanyl-6-[5-methyl-1-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).