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

C24H23F2N7S — CID 171848290

IUPAC4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCNC1CCC(n2ncc(-c3cc(Sc4ncc(F)cc4F)c4c(C#N)cnn4c3)c2C)CC1
InChIInChI=1S/C24H23F2N7S/c1-14-20(12-31-33(14)19-5-3-18(28-2)4-6-19)15-7-22(23-16(9-27)10-30-32(23)13-15)34-24-21(26)8-17(25)11-29-24/h7-8,10-13,18-19,28H,3-6H2,1-2H3
InChIKeyRABGTSHSYPRELB-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.91
Rot. Bonds5

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

4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848290) has the molecular formula C24H23F2N7S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848290
Molecular FormulaC24H23F2N7S
Molecular Weight479.56 g/mol
Exact Mass479.17
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCNC1CCC(n2ncc(-c3cc(Sc4ncc(F)cc4F)c4c(C#N)cnn4c3)c2C)CC1
InChIInChI=1S/C24H23F2N7S/c1-14-20(12-31-33(14)19-5-3-18(28-2)4-6-19)15-7-22(23-16(9-27)10-30-32(23)13-15)34-24-21(26)8-17(25)11-29-24/h7-8,10-13,18-19,28H,3-6H2,1-2H3
InChIKeyRABGTSHSYPRELB-UHFFFAOYSA-N
XLogP4.91
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848106
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
4-[(3-fluoro-5,6-dimethyl-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848477
6-[1-[4-(dimethylamino)cyclohexyl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847301
6-[1-(1-acetylpiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847897
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
4-(4-chloro-2-cyanophenyl)sulfanyl-6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848267
6-[1-[(3S)-1-acetylpiperidin-3-yl]-5-methylpyrazol-4-yl]-4-[(3,5-difluoro-6-methyl-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847974
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848503
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
6-[1-(1-acetylpiperidin-3-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848582
N-[4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]cyclohexyl]-2-(dimethylamino)-N-methylacetamide
CID 171847958

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CNC1CCC(n2ncc(-c3cc(Sc4ncc(F)cc4F)c4c(C#N)cnn4c3)c2C)CC1.
What is the InChIKey of 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is RABGTSHSYPRELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7S/c1-14-20(12-31-33(14)19-5-3-18(28-2)4-6-19)15-7-22(23-16(9-27)10-30-32(23)13-15)34-24-21(26)8-17(25)11-29-24/h7-8,10-13,18-19,28H,3-6H2,1-2H3.
What are the key properties of 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 479.56 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[4-(methylamino)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).