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

C22H23FN4O3S — CID 155463940

IUPACN-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide
SMILESCC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccn(C2CC2)n1
InChIInChI=1S/C22H23FN4O3S/c1-14(2)18-11-16(23)12-19(15-5-8-24-9-6-15)20(18)13-21(28)26-31(29,30)22-7-10-27(25-22)17-3-4-17/h5-12,14,17H,3-4,13H2,1-2H3,(H,26,28)
InChIKeyVTUHPICMUSIMOD-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.59
Rot. Bonds7

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

N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide (PubChem CID 155463940) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide
PubChem CID155463940
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC NameN-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide
SMILESCC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccn(C2CC2)n1
InChIInChI=1S/C22H23FN4O3S/c1-14(2)18-11-16(23)12-19(15-5-8-24-9-6-15)20(18)13-21(28)26-31(29,30)22-7-10-27(25-22)17-3-4-17/h5-12,14,17H,3-4,13H2,1-2H3,(H,26,28)
InChIKeyVTUHPICMUSIMOD-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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide?
The IUPAC name of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide (CID 155463940) is N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide?
The canonical SMILES for N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide is CC(C)c1cc(F)cc(-c2ccncc2)c1CC(=O)NS(=O)(=O)c1ccn(C2CC2)n1.
What is the InChIKey of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide?
The InChIKey is VTUHPICMUSIMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-14(2)18-11-16(23)12-19(15-5-8-24-9-6-15)20(18)13-21(28)26-31(29,30)22-7-10-27(25-22)17-3-4-17/h5-12,14,17H,3-4,13H2,1-2H3,(H,26,28).
What are the key properties of N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide?
N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-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-3-yl)sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)acetamide is sourced from PubChem (CID 155463940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).