N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C51H65ClN8O4 — CID 167053884

About N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 167053884) has the molecular formula C51H65ClN8O4 and a molecular weight of 889.59 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 167053884
• Molecular Formula: C51H65ClN8O4
• Molecular Weight: 889.59 g/mol
• Exact Mass: 888.48
• IUPAC Name: N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: CCOCC12CCC(CCN3CCc4c(nc(C(=O)Nc5cccc(-c6cccc(NC(=O)c7nc8c(n7C)CCN(CCC79CCC(C=O)(CC7)C9)C8)c6C)c5Cl)n4C)C3)(CC1)C2
• InChI: InChI=1S/C51H65ClN8O4/c1-5-64-33-51-20-16-49(31-51,17-21-51)23-27-60-25-13-42-40(29-60)54-45(58(42)4)47(63)56-38-11-7-9-36(43(38)52)35-8-6-10-37(34(35)2)55-46(62)44-53-39-28-59(24-12-41(39)57(44)3)26-22-48-14-18-50(30-48,32-61)19-15-48/h6-11,32H,5,12-31,33H2,1-4H3,(H,55,62)(H,56,63)
• InChIKey: CMTQWAGRHASWCM-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 126.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.59
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 167053884) is N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CCOCC12CCC(CCN3CCc4c(nc(C(=O)Nc5cccc(-c6cccc(NC(=O)c7nc8c(n7C)CCN(CCC79CCC(C=O)(CC7)C9)C8)c6C)c5Cl)n4C)C3)(CC1)C2.

What is the InChIKey of N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is CMTQWAGRHASWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H65ClN8O4/c1-5-64-33-51-20-16-49(31-51,17-21-51)23-27-60-25-13-42-40(29-60)54-45(58(42)4)47(63)56-38-11-7-9-36(43(38)52)35-8-6-10-37(34(35)2)55-46(62)44-53-39-28-59(24-12-41(39)57(44)3)26-22-48-14-18-50(30-48,32-61)19-15-48/h6-11,32H,5,12-31,33H2,1-4H3,(H,55,62)(H,56,63).

What are the key properties of N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 889.59 g/mol, XLogP of 8.92, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[[5-[2-(4-formyl-1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-[2-[4-(ethoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 167053884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).