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

C23H22FN5O3S — CID 155463772

IUPAC2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide
SMILESCC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1CC(=O)NS(=O)(=O)c1cn(C2CC2)cn1
InChIInChI=1S/C23H22FN5O3S/c1-14(2)19-8-16(24)9-20(15-5-6-26-17(7-15)11-25)21(19)10-22(30)28-33(31,32)23-12-29(13-27-23)18-3-4-18/h5-9,12-14,18H,3-4,10H2,1-2H3,(H,28,30)
InChIKeyROECFZUCUSMRRJ-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-cyclopropylimidazol-4-yl)sulfonylacetamide

2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide (PubChem CID 155463772) 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-cyclopropylimidazol-4-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide
PubChem CID155463772
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-cyclopropylimidazol-4-yl)sulfonylacetamide
SMILESCC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1CC(=O)NS(=O)(=O)c1cn(C2CC2)cn1
InChIInChI=1S/C23H22FN5O3S/c1-14(2)19-8-16(24)9-20(15-5-6-26-17(7-15)11-25)21(19)10-22(30)28-33(31,32)23-12-29(13-27-23)18-3-4-18/h5-9,12-14,18H,3-4,10H2,1-2H3,(H,28,30)
InChIKeyROECFZUCUSMRRJ-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

Analyze 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-pyridin-2-ylsulfonylamino]hexanamide
CID 17757977
6-[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(1-methylimidazol-4-yl)sulfonylamino]hexanamide
CID 17759767
N-[[(1S,5R)-3-(1-methylimidazol-4-yl)sulfonyl-6-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-(trifluoromethyl)benzamide
CID 76325108
US9656955, Example 635
CID 90405795
US9656955, Example 369
CID 90406286
US11530200, Example 6
CID 155463774
US11530200, Example 7
CID 155463941
US9656955, Example 347
CID 90404894
US9656955, Example 268
CID 90406329
US9656955, Example 634
CID 90406762
US11530200, Example 22
CID 155761085
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-1-methylimidazole-4-sulfonamide
CID 24777016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide?
The IUPAC name of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide (CID 155463772) is 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide.
What is the SMILES notation for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide?
The canonical SMILES for 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide is CC(C)c1cc(F)cc(-c2ccnc(C#N)c2)c1CC(=O)NS(=O)(=O)c1cn(C2CC2)cn1.
What is the InChIKey of 2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-4-yl)sulfonylacetamide?
The InChIKey is ROECFZUCUSMRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3S/c1-14(2)19-8-16(24)9-20(15-5-6-26-17(7-15)11-25)21(19)10-22(30)28-33(31,32)23-12-29(13-27-23)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-cyclopropylimidazol-4-yl)sulfonylacetamide?
2-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-N-(1-cyclopropylimidazol-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-cyclopropylimidazol-4-yl)sulfonylacetamide is sourced from PubChem (CID 155463772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).