N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C36H42ClN7O3 — CID 147941686

IUPACN-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(n2C)CCN(C2CCOCC2)C3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(C)C3)c1Cl
InChIInChI=1S/C36H42ClN7O3/c1-22-25(26-9-5-7-23(33(26)37)19-32(45)34-38-28-20-41(2)15-11-30(28)42(34)3)8-6-10-27(22)40-36(46)35-39-29-21-44(16-12-31(29)43(35)4)24-13-17-47-18-14-24/h5-10,24H,11-21H2,1-4H3,(H,40,46)
InChIKeyILWNOLMOOAFRSO-UHFFFAOYSA-N
MW656.23 g/mol
LogP4.99
Rot. Bonds7

About N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 147941686) has the molecular formula C36H42ClN7O3 and a molecular weight of 656.23 g/mol. Its IUPAC name is N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID147941686
Molecular FormulaC36H42ClN7O3
Molecular Weight656.23 g/mol
Exact Mass655.30
IUPAC NameN-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2nc3c(n2C)CCN(C2CCOCC2)C3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(C)C3)c1Cl
InChIInChI=1S/C36H42ClN7O3/c1-22-25(26-9-5-7-23(33(26)37)19-32(45)34-38-28-20-41(2)15-11-30(28)42(34)3)8-6-10-27(22)40-36(46)35-39-29-21-44(16-12-31(29)43(35)4)24-13-17-47-18-14-24/h5-10,24H,11-21H2,1-4H3,(H,40,46)
InChIKeyILWNOLMOOAFRSO-UHFFFAOYSA-N
XLogP4.99
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-chloro-3-[3-[(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763833
N-[2-chloro-3-[3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135165277
N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid
CID 142388719
4-[2-[2-[[2-chloro-3-[3-[2-(5-cyclopentyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]cyclohexane-1-carboxylic acid
CID 160914284
2-[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]acetic acid
CID 135146602
N-[3-[2-chloro-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135165143
4-[[2-[[2-chloro-3-[2-chloro-3-[2-[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-2-oxoethyl]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146802538
N-[3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146551
N-[3-(3-formamido-2-methylphenyl)-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 156575281
4-[[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 135146540
N-[2-chloro-3-[3-[[5-(2,3-dihydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146552
tert-butyl 2-[2-[2-chloro-3-[2-methyl-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]phenyl]acetyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 160782425

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 147941686) is N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cc1c(NC(=O)c2nc3c(n2C)CCN(C2CCOCC2)C3)cccc1-c1cccc(CC(=O)c2nc3c(n2C)CCN(C)C3)c1Cl.
What is the InChIKey of N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is ILWNOLMOOAFRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42ClN7O3/c1-22-25(26-9-5-7-23(33(26)37)19-32(45)34-38-28-20-41(2)15-11-30(28)42(34)3)8-6-10-27(22)40-36(46)35-39-29-21-44(16-12-31(29)43(35)4)24-13-17-47-18-14-24/h5-10,24H,11-21H2,1-4H3,(H,40,46).
What are the key properties of N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 656.23 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-3-[2-(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-2-oxoethyl]phenyl]-2-methylphenyl]-1-methyl-5-(oxan-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 147941686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).