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

C43H53ClN8O5 — CID 135165297

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

N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 135165297) has the molecular formula C43H53ClN8O5 and a molecular weight of 797.40 g/mol. Its IUPAC name is N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 135165297
• Molecular Formula: C43H53ClN8O5
• Molecular Weight: 797.40 g/mol
• Exact Mass: 796.38
• IUPAC Name: N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CCC4CCC(C=O)CC4)C5)c3Cl)c2O)nc2c1CCN(C1CCC(O)CC1)C2
• InChI: InChI=1S/C43H53ClN8O5/c1-49-36-18-21-51(20-17-26-9-11-27(25-53)12-10-26)23-34(36)45-40(49)42(56)47-32-7-3-5-30(38(32)44)31-6-4-8-33(39(31)55)48-43(57)41-46-35-24-52(22-19-37(35)50(41)2)28-13-15-29(54)16-14-28/h3-8,25-29,54-55H,9-24H2,1-2H3,(H,47,56)(H,48,57)
• InChIKey: JMPBOKBZWUILQQ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 157.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.40
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 135165297) is N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CCC4CCC(C=O)CC4)C5)c3Cl)c2O)nc2c1CCN(C1CCC(O)CC1)C2.

What is the InChIKey of N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is JMPBOKBZWUILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53ClN8O5/c1-49-36-18-21-51(20-17-26-9-11-27(25-53)12-10-26)23-34(36)45-40(49)42(56)47-32-7-3-5-30(38(32)44)31-6-4-8-33(39(31)55)48-43(57)41-46-35-24-52(22-19-37(35)50(41)2)28-13-15-29(54)16-14-28/h3-8,25-29,54-55H,9-24H2,1-2H3,(H,47,56)(H,48,57).

What are the key properties of N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 797.40 g/mol, XLogP of 6.10, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-hydroxy-3-[[5-(4-hydroxycyclohexyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[2-(4-formylcyclohexyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 135165297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).