N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol

C40H52Cl2N8O4 — CID 142388660

About N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol

N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol (PubChem CID 142388660) has the molecular formula C40H52Cl2N8O4 and a molecular weight of 779.81 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol
• PubChem CID: 142388660
• Molecular Formula: C40H52Cl2N8O4
• Molecular Weight: 779.81 g/mol
• Exact Mass: 778.35
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol
• SMILES: CN1CCc2c(nc(C=O)n2C)C1.CNc1cccc(-c2cccc(NC(=O)c3nc4c(n3C)CCN(CC3CCC(C)(C=O)CC3)C4)c2Cl)c1Cl.CO
• InChI: InChI=1S/C30H35Cl2N5O2.C9H13N3O.CH4O/c1-30(18-38)13-10-19(11-14-30)16-37-15-12-25-24(17-37)34-28(36(25)3)29(39)35-23-9-5-7-21(27(23)32)20-6-4-8-22(33-2)26(20)31;1-11-4-3-8-7(5-11)10-9(6-13)12(8)2;1-2/h4-9,18-19,33H,10-17H2,1-3H3,(H,35,39);6H,3-5H2,1-2H3;2H,1H3
• InChIKey: UJVBVXHXYMIFIB-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 137.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	779.81
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol (CID 142388660) is N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol is CN1CCc2c(nc(C=O)n2C)C1.CNc1cccc(-c2cccc(NC(=O)c3nc4c(n3C)CCN(CC3CCC(C)(C=O)CC3)C4)c2Cl)c1Cl.CO.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol?

The InChIKey is UJVBVXHXYMIFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35Cl2N5O2.C9H13N3O.CH4O/c1-30(18-38)13-10-19(11-14-30)16-37-15-12-25-24(17-37)34-28(36(25)3)29(39)35-23-9-5-7-21(27(23)32)20-6-4-8-22(33-2)26(20)31;1-11-4-3-8-7(5-11)10-9(6-13)12(8)2;1-2/h4-9,18-19,33H,10-17H2,1-3H3,(H,35,39);6H,3-5H2,1-2H3;2H,1H3.

What are the key properties of N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol?

N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol has a molecular weight of 779.81 g/mol, XLogP of 6.27, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-(methylamino)phenyl]phenyl]-5-[(4-formyl-4-methylcyclohexyl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbaldehyde;methanol is sourced from PubChem (CID 142388660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).