4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H19FN6OS — CID 171848273

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCC(O)CC3)nc2)cn2ncc(C#N)c12
InChIInChI=1S/C25H19FN6OS/c26-20-2-3-22(17(9-20)11-27)34-23-10-18(15-32-25(23)19(12-28)14-30-32)16-1-4-24(29-13-16)31-7-5-21(33)6-8-31/h1-4,9-10,13-15,21,33H,5-8H2
InChIKeyDKJJVAGDPGBHPB-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.39
Rot. Bonds4

About 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848273) has the molecular formula C25H19FN6OS and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848273
Molecular FormulaC25H19FN6OS
Molecular Weight470.53 g/mol
Exact Mass470.13
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCC(O)CC3)nc2)cn2ncc(C#N)c12
InChIInChI=1S/C25H19FN6OS/c26-20-2-3-22(17(9-20)11-27)34-23-10-18(15-32-25(23)19(12-28)14-30-32)16-1-4-24(29-13-16)31-7-5-21(33)6-8-31/h1-4,9-10,13-15,21,33H,5-8H2
InChIKeyDKJJVAGDPGBHPB-UHFFFAOYSA-N
XLogP4.39
TPSA101.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847950
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848552
2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile
CID 175637855
1-[6-[3-cyano-6-[6-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluoro-3-pyridinyl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-1-ium-3-carbonitrile
CID 175637820
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-(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-(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
methyl (3S)-3-[4-[3-cyano-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 171847831
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-bromo-4-[6-(4-deuterio-4-methylpiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175764205
6-(1-methylpyrazol-4-yl)-4-[6-[4-(2-phenylethynyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 162371999
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848273) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCC(O)CC3)nc2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DKJJVAGDPGBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6OS/c26-20-2-3-22(17(9-20)11-27)34-23-10-18(15-32-25(23)19(12-28)14-30-32)16-1-4-24(29-13-16)31-7-5-21(33)6-8-31/h1-4,9-10,13-15,21,33H,5-8H2.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 470.53 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).