5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide

C29H23ClF2N6O2 — CID 135154286

IUPAC5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cn1)C(=O)c1cncc(CN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2N)c1
InChIInChI=1S/C29H23ClF2N6O2/c1-37(17-25-11-6-22(30)15-35-25)26(39)19-12-18(13-34-14-19)16-38-27(40)29(36-28(38)33,20-2-7-23(31)8-3-20)21-4-9-24(32)10-5-21/h2-15H,16-17H2,1H3,(H2,33,36)
InChIKeyQTHNWVDZGYJMLS-UHFFFAOYSA-N
MW560.99 g/mol
LogP4.28
Rot. Bonds7

About 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide

5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 135154286) has the molecular formula C29H23ClF2N6O2 and a molecular weight of 560.99 g/mol. Its IUPAC name is 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID135154286
Molecular FormulaC29H23ClF2N6O2
Molecular Weight560.99 g/mol
Exact Mass560.15
IUPAC Name5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)cn1)C(=O)c1cncc(CN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2N)c1
InChIInChI=1S/C29H23ClF2N6O2/c1-37(17-25-11-6-22(30)15-35-25)26(39)19-12-18(13-34-14-19)16-38-27(40)29(36-28(38)33,20-2-7-23(31)8-3-20)21-4-9-24(32)10-5-21/h2-15H,16-17H2,1H3,(H2,33,36)
InChIKeyQTHNWVDZGYJMLS-UHFFFAOYSA-N
XLogP4.28
TPSA104.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.99
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-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-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819085
4-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)pyridine-2-carboxamide
CID 470763
N-[3-[(1R)-3-amino-1-(1-ethyl-5-methyl-6-oxo-3-pyridinyl)-4-fluoroisoindol-1-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 71449971
6,7-dichloro-4-(4-fluoro-3-(4-(pyridin-2-yl)piperazine-1-carbonyl)benzyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
CID 46229849
Rac-5-chloro-pyridine-2-carboxylic acid[3-(6-amino-2,4-dimethyl-5-oxo-2,3,4,5-tetrahydro-pyrazin-2-yl)-4-fluoro-phenyl]-amide
CID 53262012
N-[3-[(3R)-5-amino-1,3-dimethyl-6-oxo-2H-pyrazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 56593478
2-Amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-pyridin-2-ylimidazol-4-one
CID 59262346
(3R)-3-amino-1-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70684571
Synthesis of N-(2-acetamidoethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211175
Synthesis of N-(2-amino-2-oxo-ethyl)-4-[[2-(5-chloro-2-fluoro-phenyl)-5-isopropyl-4-pyridyl]amino]pyridine-3-carboxamide
CID 118211314
6-[2-[(4-Aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-[(3-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 66937219
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]pyridine-3-carboxamide
CID 68405338

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide (CID 135154286) is 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide is CN(Cc1ccc(Cl)cn1)C(=O)c1cncc(CN2C(=O)C(c3ccc(F)cc3)(c3ccc(F)cc3)N=C2N)c1.
What is the InChIKey of 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is QTHNWVDZGYJMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClF2N6O2/c1-37(17-25-11-6-22(30)15-35-25)26(39)19-12-18(13-34-14-19)16-38-27(40)29(36-28(38)33,20-2-7-23(31)8-3-20)21-4-9-24(32)10-5-21/h2-15H,16-17H2,1H3,(H2,33,36).
What are the key properties of 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide?
5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 560.99 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 135154286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).