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

C25H19FN6O2S — CID 171848552

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCOC(CO)C3)nc2)cn2ncc(C#N)c12
InChIInChI=1S/C25H19FN6O2S/c26-20-2-3-22(17(7-20)9-27)35-23-8-18(13-32-25(23)19(10-28)12-30-32)16-1-4-24(29-11-16)31-5-6-34-21(14-31)15-33/h1-4,7-8,11-13,21,33H,5-6,14-15H2
InChIKeyPGIUZDLBFHNTQD-UHFFFAOYSA-N
MW486.53 g/mol
LogP3.63
Rot. Bonds5

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

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848552) has the molecular formula C25H19FN6O2S and a molecular weight of 486.53 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848552
Molecular FormulaC25H19FN6O2S
Molecular Weight486.53 g/mol
Exact Mass486.13
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCOC(CO)C3)nc2)cn2ncc(C#N)c12
InChIInChI=1S/C25H19FN6O2S/c26-20-2-3-22(17(7-20)9-27)35-23-8-18(13-32-25(23)19(10-28)12-30-32)16-1-4-24(29-11-16)31-5-6-34-21(14-31)15-33/h1-4,7-8,11-13,21,33H,5-6,14-15H2
InChIKeyPGIUZDLBFHNTQD-UHFFFAOYSA-N
XLogP3.63
TPSA110.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848273
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847950
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
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
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
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-[(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
2,3-difluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzonitrile
CID 107934019
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199
4-[6-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740053
6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434497

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848552) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cc(F)ccc1Sc1cc(-c2ccc(N3CCOC(CO)C3)nc2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PGIUZDLBFHNTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2S/c26-20-2-3-22(17(7-20)9-27)35-23-8-18(13-32-25(23)19(10-28)12-30-32)16-1-4-24(29-11-16)31-5-6-34-21(14-31)15-33/h1-4,7-8,11-13,21,33H,5-6,14-15H2.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 486.53 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).