4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C20H17FN6OS — CID 171848619

IUPAC4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1CCCO
InChIInChI=1S/C20H17FN6OS/c1-13-16(11-25-26(13)6-3-7-28)14-8-18(29-20-17(21)4-2-5-23-20)19-15(9-22)10-24-27(19)12-14/h2,4-5,8,10-12,28H,3,6-7H2,1H3
InChIKeyYLVNOBLOIDNJKP-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.45
Rot. Bonds6

About 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171848619) has the molecular formula C20H17FN6OS and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171848619
Molecular FormulaC20H17FN6OS
Molecular Weight408.46 g/mol
Exact Mass408.12
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1CCCO
InChIInChI=1S/C20H17FN6OS/c1-13-16(11-25-26(13)6-3-7-28)14-8-18(29-20-17(21)4-2-5-23-20)19-15(9-22)10-24-27(19)12-14/h2,4-5,8,10-12,28H,3,6-7H2,1H3
InChIKeyYLVNOBLOIDNJKP-UHFFFAOYSA-N
XLogP3.45
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-(1-acetylpiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847897
6-(5-fluoro-1H-pyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848516
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-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848453
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
2-amino-N,N-dimethylacetamide;6-(1-cyclohexyl-5-methylpyrazol-4-yl)-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848509
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-(hydroxymethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171847982
N-[[(1R,2S,4S)-4-[4-[3-cyano-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]-2-methylcyclopentyl]methyl]-N-methylacetamide
CID 175632382
6-[1-[1-[2-(dimethylamino)-2-methylpropanoyl]piperidin-4-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847539

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171848619) is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1CCCO.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YLVNOBLOIDNJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6OS/c1-13-16(11-25-26(13)6-3-7-28)14-8-18(29-20-17(21)4-2-5-23-20)19-15(9-22)10-24-27(19)12-14/h2,4-5,8,10-12,28H,3,6-7H2,1H3.
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 408.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171848619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).