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

C25H21FN6OS — CID 171847273

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(O)CC1
InChIInChI=1S/C25H21FN6OS/c1-15-22(13-30-32(15)20-3-5-21(33)6-4-20)17-9-24(25-18(11-28)12-29-31(25)14-17)34-23-7-2-19(26)8-16(23)10-27/h2,7-9,12-14,20-21,33H,3-6H2,1H3
InChIKeyWSLACWBGWVMEGT-UHFFFAOYSA-N
MW472.55 g/mol
LogP5.02
Rot. Bonds4

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

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847273) has the molecular formula C25H21FN6OS and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847273
Molecular FormulaC25H21FN6OS
Molecular Weight472.55 g/mol
Exact Mass472.15
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(O)CC1
InChIInChI=1S/C25H21FN6OS/c1-15-22(13-30-32(15)20-3-5-21(33)6-4-20)17-9-24(25-18(11-28)12-29-31(25)14-17)34-23-7-2-19(26)8-16(23)10-27/h2,7-9,12-14,20-21,33H,3-6H2,1H3
InChIKeyWSLACWBGWVMEGT-UHFFFAOYSA-N
XLogP5.02
TPSA102.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.02
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-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847273) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-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-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCC(O)CC1.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WSLACWBGWVMEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6OS/c1-15-22(13-30-32(15)20-3-5-21(33)6-4-20)17-9-24(25-18(11-28)12-29-31(25)14-17)34-23-7-2-19(26)8-16(23)10-27/h2,7-9,12-14,20-21,33H,3-6H2,1H3.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 472.55 g/mol, XLogP of 5.02, 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-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).