2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide

C23H22FN5O3S — CID 155464035

IUPAC2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide
SMILESCC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1CC(=O)NS(=O)(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C23H22FN5O3S/c1-14(2)20-8-16(24)9-21(15-5-6-26-17(7-15)11-25)22(20)10-23(30)28-33(31,32)19-12-27-29(13-19)18-3-4-18/h5-9,12-14,18H,3-4,10H2,1-2H3,(H,28,30)
InChIKeyLTQRSEDXXFEQPV-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.46
Rot. Bonds7

About 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide

2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide (PubChem CID 155464035) has the molecular formula C23H22FN5O3S and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide
PubChem CID155464035
Molecular FormulaC23H22FN5O3S
Molecular Weight467.53 g/mol
Exact Mass467.14
IUPAC Name2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide
SMILESCC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1CC(=O)NS(=O)(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C23H22FN5O3S/c1-14(2)20-8-16(24)9-21(15-5-6-26-17(7-15)11-25)22(20)10-23(30)28-33(31,32)19-12-27-29(13-19)18-3-4-18/h5-9,12-14,18H,3-4,10H2,1-2H3,(H,28,30)
InChIKeyLTQRSEDXXFEQPV-UHFFFAOYSA-N
XLogP3.46
TPSA117.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide?
The IUPAC name of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide (CID 155464035) is 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide.
What is the SMILES notation for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide?
The canonical SMILES for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide is CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1CC(=O)NS(=O)(=O)c1cnn(C2CC2)c1.
What is the InChIKey of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide?
The InChIKey is LTQRSEDXXFEQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-14(2)20-8-16(24)9-21(15-5-6-26-17(7-15)11-25)22(20)10-23(30)28-33(31,32)19-12-27-29(13-19)18-3-4-18/h5-9,12-14,18H,3-4,10H2,1-2H3,(H,28,30).
What are the key properties of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide?
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide has a molecular weight of 467.53 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylpyrazol-4-yl)sulfonylacetamide is sourced from PubChem (CID 155464035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).