N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

C23H25F3N6O2 — CID 126485116

IUPACN-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCCc1cc(CNC(=O)C(F)F)cc(F)c1N(C)c1nc(NC(=O)C2CC2)c2[nH]cnc2c1C
InChIInChI=1S/C23H25F3N6O2/c1-4-13-7-12(9-27-23(34)19(25)26)8-15(24)18(13)32(3)21-11(2)16-17(29-10-28-16)20(30-21)31-22(33)14-5-6-14/h7-8,10,14,19H,4-6,9H2,1-3H3,(H,27,34)(H,28,29)(H,30,31,33)
InChIKeyWGUABFDEGVJRRR-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.97
Rot. Bonds8

About N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide

N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (PubChem CID 126485116) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
PubChem CID126485116
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC NameN-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
SMILESCCc1cc(CNC(=O)C(F)F)cc(F)c1N(C)c1nc(NC(=O)C2CC2)c2[nH]cnc2c1C
InChIInChI=1S/C23H25F3N6O2/c1-4-13-7-12(9-27-23(34)19(25)26)8-15(24)18(13)32(3)21-11(2)16-17(29-10-28-16)20(30-21)31-22(33)14-5-6-14/h7-8,10,14,19H,4-6,9H2,1-3H3,(H,27,34)(H,28,29)(H,30,31,33)
InChIKeyWGUABFDEGVJRRR-UHFFFAOYSA-N
XLogP3.97
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide 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-[6-[4-[[difluoromethylsulfonyl(methyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-1-methylimidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 154504824
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 87427282
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-4-(2-fluorobut-3-enoxy)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 163887175
4-N-(3-acetylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148460
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
4-N-(3,5-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148377
N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 79023059
N-[4-(dimethylamino)-6-[[4-ethyl-6-[[methyl(methylsulfanyl)amino]methyl]-3-pyridinyl]-methylamino]-3-(methylideneamino)-2-pyridinyl]cyclopropanecarboxamide
CID 145234577
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide (CID 126485116) is N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is CCc1cc(CNC(=O)C(F)F)cc(F)c1N(C)c1nc(NC(=O)C2CC2)c2[nH]cnc2c1C.
What is the InChIKey of N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
The InChIKey is WGUABFDEGVJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-4-13-7-12(9-27-23(34)19(25)26)8-15(24)18(13)32(3)21-11(2)16-17(29-10-28-16)20(30-21)31-22(33)14-5-6-14/h7-8,10,14,19H,4-6,9H2,1-3H3,(H,27,34)(H,28,29)(H,30,31,33).
What are the key properties of N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide?
N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide has a molecular weight of 474.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[[(2,2-difluoroacetyl)amino]methyl]-2-ethyl-6-fluoro-N-methylanilino]-7-methyl-3H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 126485116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).