4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H24FN7S — CID 171847264

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C27H24FN7S/c1-16-24(14-32-35(16)23-9-21-4-5-22(10-23)33(21)2)18-8-26(27-19(12-30)13-31-34(27)15-18)36-25-6-3-20(28)7-17(25)11-29/h3,6-8,13-15,21-23H,4-5,9-10H2,1-2H3/t21-,22+,23?
InChIKeyQHSHXWNCHODJTB-AIZNXBIQSA-N
MW497.60 g/mol
LogP5.34
Rot. Bonds4

About 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847264) has the molecular formula C27H24FN7S and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847264
Molecular FormulaC27H24FN7S
Molecular Weight497.60 g/mol
Exact Mass497.18
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1C[C@H]2CC[C@@H](C1)N2C
InChIInChI=1S/C27H24FN7S/c1-16-24(14-32-35(16)23-9-21-4-5-22(10-23)33(21)2)18-8-26(27-19(12-30)13-31-34(27)15-18)36-25-6-3-20(28)7-17(25)11-29/h3,6-8,13-15,21-23H,4-5,9-10H2,1-2H3/t21-,22+,23?
InChIKeyQHSHXWNCHODJTB-AIZNXBIQSA-N
XLogP5.34
TPSA85.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847264) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1C[C@H]2CC[C@@H](C1)N2C.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QHSHXWNCHODJTB-AIZNXBIQSA-N. The full InChI is InChI=1S/C27H24FN7S/c1-16-24(14-32-35(16)23-9-21-4-5-22(10-23)33(21)2)18-8-26(27-19(12-30)13-31-34(27)15-18)36-25-6-3-20(28)7-17(25)11-29/h3,6-8,13-15,21-23H,4-5,9-10H2,1-2H3/t21-,22+,23?.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 497.60 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).