N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C32H38ClN9O2 — CID 166666737

IUPACN-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCCN1CCc2c(nc(C(=O)Nc3cncc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC)C6)c4Cl)c3C)n2C)C1
InChIInChI=1S/C32H38ClN9O2/c1-6-41-13-11-26-24(17-41)35-29(39(26)4)31(43)37-22-10-8-9-20(28(22)33)21-15-34-16-23(19(21)3)38-32(44)30-36-25-18-42(7-2)14-12-27(25)40(30)5/h8-10,15-16H,6-7,11-14,17-18H2,1-5H3,(H,37,43)(H,38,44)
InChIKeyBYPBNELDFVIKGM-UHFFFAOYSA-N
MW616.17 g/mol
LogP4.44
Rot. Bonds7

About N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 166666737) has the molecular formula C32H38ClN9O2 and a molecular weight of 616.17 g/mol. Its IUPAC name is N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID166666737
Molecular FormulaC32H38ClN9O2
Molecular Weight616.17 g/mol
Exact Mass615.28
IUPAC NameN-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCCN1CCc2c(nc(C(=O)Nc3cncc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC)C6)c4Cl)c3C)n2C)C1
InChIInChI=1S/C32H38ClN9O2/c1-6-41-13-11-26-24(17-41)35-29(39(26)4)31(43)37-22-10-8-9-20(28(22)33)21-15-34-16-23(19(21)3)38-32(44)30-36-25-18-42(7-2)14-12-27(25)40(30)5/h8-10,15-16H,6-7,11-14,17-18H2,1-5H3,(H,37,43)(H,38,44)
InChIKeyBYPBNELDFVIKGM-UHFFFAOYSA-N
XLogP4.44
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.17
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-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-(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
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-[2-chloro-3-[3-[[5-(hydroxymethyl)-4-(methoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175976329
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-[2-chloro-3-[3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146686
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
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-[3-[2-chloro-3-[[5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-3-methyl-6-propyl-4,5,6,7,8,9-hexahydrocycloocta[d]imidazole-2-carboxamide
CID 163420190
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
5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-[2-chloro-3-[[5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175849123
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-[2-chloro-3-[[5-(2-cyclohexylethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175763848

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 166666737) is N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CCN1CCc2c(nc(C(=O)Nc3cncc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC)C6)c4Cl)c3C)n2C)C1.
What is the InChIKey of N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is BYPBNELDFVIKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN9O2/c1-6-41-13-11-26-24(17-41)35-29(39(26)4)31(43)37-22-10-8-9-20(28(22)33)21-15-34-16-23(19(21)3)38-32(44)30-36-25-18-42(7-2)14-12-27(25)40(30)5/h8-10,15-16H,6-7,11-14,17-18H2,1-5H3,(H,37,43)(H,38,44).
What are the key properties of N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 616.17 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[5-[(5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]-4-methyl-3-pyridinyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 166666737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).