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

C25H20FN7O2S — CID 171847462

IUPAC4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C25H20FN7O2S/c26-20-1-2-22(16(7-20)9-27)36-23-8-17(13-33-25(23)18(10-28)11-30-33)19-12-29-32(14-19)21-3-5-31(6-4-21)24(35)15-34/h1-2,7-8,11-14,21,34H,3-6,15H2
InChIKeyZGYDXCPROKSNBV-UHFFFAOYSA-N
MW501.55 g/mol
LogP3.39
Rot. Bonds5

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

4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847462) has the molecular formula C25H20FN7O2S and a molecular weight of 501.55 g/mol. Its IUPAC name is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847462
Molecular FormulaC25H20FN7O2S
Molecular Weight501.55 g/mol
Exact Mass501.14
IUPAC Name4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cc(F)ccc1Sc1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cn2ncc(C#N)c12
InChIInChI=1S/C25H20FN7O2S/c26-20-1-2-22(16(7-20)9-27)36-23-8-17(13-33-25(23)18(10-28)11-30-33)19-12-29-32(14-19)21-3-5-31(6-4-21)24(35)15-34/h1-2,7-8,11-14,21,34H,3-6,15H2
InChIKeyZGYDXCPROKSNBV-UHFFFAOYSA-N
XLogP3.39
TPSA123.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847462) is 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cc(F)ccc1Sc1cc(-c2cnn(C3CCN(C(=O)CO)CC3)c2)cn2ncc(C#N)c12.
What is the InChIKey of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ZGYDXCPROKSNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2S/c26-20-1-2-22(16(7-20)9-27)36-23-8-17(13-33-25(23)18(10-28)11-30-33)19-12-29-32(14-19)21-3-5-31(6-4-21)24(35)15-34/h1-2,7-8,11-14,21,34H,3-6,15H2.
What are the key properties of 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 501.55 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).