N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

C22H23FN4O3S — CID 155464272

IUPACN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C22H23FN4O3S/c1-14(2)19-8-16(23)9-20(15-4-3-7-24-11-15)21(19)10-22(28)26-31(29,30)18-12-25-27(13-18)17-5-6-17/h3-4,7-9,11-14,17H,5-6,10H2,1-2H3,(H,26,28)
InChIKeyJCCPKBWPLUVLMY-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.59
Rot. Bonds7

About N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide

N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (PubChem CID 155464272) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
PubChem CID155464272
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cnn(C2CC2)c1
InChIInChI=1S/C22H23FN4O3S/c1-14(2)19-8-16(23)9-20(15-4-3-7-24-11-15)21(19)10-22(28)26-31(29,30)18-12-25-27(13-18)17-5-6-17/h3-4,7-9,11-14,17H,5-6,10H2,1-2H3,(H,26,28)
InChIKeyJCCPKBWPLUVLMY-UHFFFAOYSA-N
XLogP3.59
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,2S)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76072411
trans-(1S,2S)-N-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76071764
trans-(1R,2R)-N-[4-(1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 73890932
trans-(1R,2R)-N-[4-(5-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76311093
trans-(1R,2R)-N-[4-(1-propylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76321979
trans-(1R,2R)-N-[4-(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76329161
trans-(1R,2R)-2-pyridin-3-yl-N-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 76332824
trans-(1R,2R)-N-[4-(1-ethylpyrazol-4-yl)sulfonylphenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 76336445
US11530200, Example 18
CID 155464079
2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
US11530200, Example 7
CID 155463941
US11530200, Example 9
CID 155464035

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The IUPAC name of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide (CID 155464272) is N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is CC(C)c1cc(F)cc(-c2cccnc2)c1CC(=O)NS(=O)(=O)c1cnn(C2CC2)c1.
What is the InChIKey of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
The InChIKey is JCCPKBWPLUVLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-14(2)19-8-16(23)9-20(15-4-3-7-24-11-15)21(19)10-22(28)26-31(29,30)18-12-25-27(13-18)17-5-6-17/h3-4,7-9,11-14,17H,5-6,10H2,1-2H3,(H,26,28).
What are the key properties of N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide?
N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpyrazol-4-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide is sourced from PubChem (CID 155464272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).