4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide

C28H29F4N5O3 — CID 138542343

IUPAC4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(NC(=O)c3cn(C)c(=O)cc3C(F)F)c(N3CCN(C)C(C)C3)cc2F)cc1F
InChIInChI=1S/C28H29F4N5O3/c1-15-13-37(8-7-35(15)3)24-12-22(30)18(16-5-6-17(21(29)9-16)27(39)33-2)10-23(24)34-28(40)20-14-36(4)25(38)11-19(20)26(31)32/h5-6,9-12,14-15,26H,7-8,13H2,1-4H3,(H,33,39)(H,34,40)
InChIKeyVRZYCPJNWZMXJL-UHFFFAOYSA-N
MW559.56 g/mol
LogP4.02
Rot. Bonds6

About 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide

4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 138542343) has the molecular formula C28H29F4N5O3 and a molecular weight of 559.56 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID138542343
Molecular FormulaC28H29F4N5O3
Molecular Weight559.56 g/mol
Exact Mass559.22
IUPAC Name4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(NC(=O)c3cn(C)c(=O)cc3C(F)F)c(N3CCN(C)C(C)C3)cc2F)cc1F
InChIInChI=1S/C28H29F4N5O3/c1-15-13-37(8-7-35(15)3)24-12-22(30)18(16-5-6-17(21(29)9-16)27(39)33-2)10-23(24)34-28(40)20-14-36(4)25(38)11-19(20)26(31)32/h5-6,9-12,14-15,26H,7-8,13H2,1-4H3,(H,33,39)(H,34,40)
InChIKeyVRZYCPJNWZMXJL-UHFFFAOYSA-N
XLogP4.02
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.56
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide 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

N-[5-bromo-2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-4-(difluoromethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 137377216
N-[5-(4-carbamoyl-3-fluorophenyl)-2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 137376957
4-(difluoromethyl)-N-[4-fluoro-5-(3-methylbenzimidazol-5-yl)-2-[(3S)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 145360037
4-(difluoromethyl)-N-[4-fluoro-2-[(3S)-3-methylpiperazin-1-yl]-5-(6-methyl-3-pyridinyl)phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 147853061
4-(difluoromethyl)-N-[4-fluoro-5-[2-[(2S)-2-methylmorpholin-4-yl]pyrimidin-5-yl]-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 138551646
2-(difluoromethyl)-N-[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-4-fluorobenzamide
CID 137376878
4-(difluoromethyl)-N-[4-fluoro-5-(2-morpholin-4-ylpyrimidin-4-yl)-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 145359896
N-[4-fluoro-5-(4-pyrrolidin-1-ylphenyl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 138541686
N-[5-[6-(cyclopropylmethoxy)-3-pyridinyl]-2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 138542597
4-(difluoromethyl)-N-[5-[2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]-4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 138541865
N-[5-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluorophenyl]-1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 138551333
4-(difluoromethyl)-N-[2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 175766298

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 138542343) is 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(-c2cc(NC(=O)c3cn(C)c(=O)cc3C(F)F)c(N3CCN(C)C(C)C3)cc2F)cc1F.
What is the InChIKey of 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is VRZYCPJNWZMXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N5O3/c1-15-13-37(8-7-35(15)3)24-12-22(30)18(16-5-6-17(21(29)9-16)27(39)33-2)10-23(24)34-28(40)20-14-36(4)25(38)11-19(20)26(31)32/h5-6,9-12,14-15,26H,7-8,13H2,1-4H3,(H,33,39)(H,34,40).
What are the key properties of 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?
4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 559.56 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[2-(3,4-dimethylpiperazin-1-yl)-4-fluoro-5-[3-fluoro-4-(methylcarbamoyl)phenyl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 138542343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).