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

C23H21F2N7S — CID 171848106

IUPAC4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncc(F)cc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C)CC1
InChIInChI=1S/C23H21F2N7S/c1-14-19(12-29-32(14)18-3-5-30(2)6-4-18)15-7-21(22-16(9-26)10-28-31(22)13-15)33-23-20(25)8-17(24)11-27-23/h7-8,10-13,18H,3-6H2,1-2H3
InChIKeyWUQYVXCTCMWPQD-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.47
Rot. Bonds4

About 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

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 (PubChem CID 171848106) has the molecular formula C23H21F2N7S and a molecular weight of 465.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848106
Molecular FormulaC23H21F2N7S
Molecular Weight465.53 g/mol
Exact Mass465.15
IUPAC Name4-[(3,5-difluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncc(F)cc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C)CC1
InChIInChI=1S/C23H21F2N7S/c1-14-19(12-29-32(14)18-3-5-30(2)6-4-18)15-7-21(22-16(9-26)10-28-31(22)13-15)33-23-20(25)8-17(24)11-27-23/h7-8,10-13,18H,3-6H2,1-2H3
InChIKeyWUQYVXCTCMWPQD-UHFFFAOYSA-N
XLogP4.47
TPSA75.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-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
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-[(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
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
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-[(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
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-(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
6-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848562
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847964
1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 175632067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2cc(Sc3ncc(F)cc3F)c3c(C#N)cnn3c2)cnn1C1CCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is WUQYVXCTCMWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7S/c1-14-19(12-29-32(14)18-3-5-30(2)6-4-18)15-7-21(22-16(9-26)10-28-31(22)13-15)33-23-20(25)8-17(24)11-27-23/h7-8,10-13,18H,3-6H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 465.53 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 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-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).