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

C19H11FN6S — CID 171847324

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C19H11FN6S/c1-25-10-15(9-23-25)13-5-18(19-14(7-22)8-24-26(19)11-13)27-17-3-2-16(20)4-12(17)6-21/h2-5,8-11H,1H3
InChIKeyYRKNZLZQTNIHKY-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.77
Rot. Bonds3

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

4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847324) has the molecular formula C19H11FN6S and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847324
Molecular FormulaC19H11FN6S
Molecular Weight374.40 g/mol
Exact Mass374.07
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C19H11FN6S/c1-25-10-15(9-23-25)13-5-18(19-14(7-22)8-24-26(19)11-13)27-17-3-2-16(20)4-12(17)6-21/h2-5,8-11H,1H3
InChIKeyYRKNZLZQTNIHKY-UHFFFAOYSA-N
XLogP3.77
TPSA82.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847324) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YRKNZLZQTNIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN6S/c1-25-10-15(9-23-25)13-5-18(19-14(7-22)8-24-26(19)11-13)27-17-3-2-16(20)4-12(17)6-21/h2-5,8-11H,1H3.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).