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

C22H17FN6OS — CID 171847251

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1CCCO
InChIInChI=1S/C22H17FN6OS/c1-14-19(12-27-28(14)5-2-6-30)16-8-21(22-17(10-25)11-26-29(22)13-16)31-20-4-3-18(23)7-15(20)9-24/h3-4,7-8,11-13,30H,2,5-6H2,1H3
InChIKeyZHRNARHBDYHWMA-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.92
Rot. Bonds6

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

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847251) has the molecular formula C22H17FN6OS and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847251
Molecular FormulaC22H17FN6OS
Molecular Weight432.48 g/mol
Exact Mass432.12
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1CCCO
InChIInChI=1S/C22H17FN6OS/c1-14-19(12-27-28(14)5-2-6-30)16-8-21(22-17(10-25)11-26-29(22)13-16)31-20-4-3-18(23)7-15(20)9-24/h3-4,7-8,11-13,30H,2,5-6H2,1H3
InChIKeyZHRNARHBDYHWMA-UHFFFAOYSA-N
XLogP3.92
TPSA102.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847251) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1CCCO.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ZHRNARHBDYHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6OS/c1-14-19(12-27-28(14)5-2-6-30)16-8-21(22-17(10-25)11-26-29(22)13-16)31-20-4-3-18(23)7-15(20)9-24/h3-4,7-8,11-13,30H,2,5-6H2,1H3.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 432.48 g/mol, XLogP of 3.92, 6 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-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).