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

C19H11FN6S — CID 171847308

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1[nH]ncc1-c1cc(Sc2ccc(F)cc2C#N)c2c(C#N)cnn2c1
InChIInChI=1S/C19H11FN6S/c1-11-16(9-23-25-11)13-5-18(19-14(7-22)8-24-26(19)10-13)27-17-3-2-15(20)4-12(17)6-21/h2-5,8-10H,1H3,(H,23,25)
InChIKeyFHTBJISYDLHMOQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.07
Rot. Bonds3

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

4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847308) 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-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847308
Molecular FormulaC19H11FN6S
Molecular Weight374.40 g/mol
Exact Mass374.07
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1[nH]ncc1-c1cc(Sc2ccc(F)cc2C#N)c2c(C#N)cnn2c1
InChIInChI=1S/C19H11FN6S/c1-11-16(9-23-25-11)13-5-18(19-14(7-22)8-24-26(19)10-13)27-17-3-2-15(20)4-12(17)6-21/h2-5,8-10H,1H3,(H,23,25)
InChIKeyFHTBJISYDLHMOQ-UHFFFAOYSA-N
XLogP4.07
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847308) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1[nH]ncc1-c1cc(Sc2ccc(F)cc2C#N)c2c(C#N)cnn2c1.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FHTBJISYDLHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN6S/c1-11-16(9-23-25-11)13-5-18(19-14(7-22)8-24-26(19)10-13)27-17-3-2-15(20)4-12(17)6-21/h2-5,8-10H,1H3,(H,23,25).
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 374.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).