4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid

C51H65ClN8O5 — CID 167053956

About 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid

4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 167053956) has the molecular formula C51H65ClN8O5 and a molecular weight of 905.58 g/mol. Its IUPAC name is 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
• PubChem CID: 167053956
• Molecular Formula: C51H65ClN8O5
• Molecular Weight: 905.58 g/mol
• Exact Mass: 904.48
• IUPAC Name: 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
• SMILES: COCC12CCC(CCCN3CCc4c(nc(C(=O)Nc5cccc(-c6cccc(NC(=O)c7nc8c(n7C)CCN(CCC79CCC(C(=O)O)(CC7)C9)C8)c6Cl)c5C)n4C)C3)(CC1)C2
• InChI: InChI=1S/C51H65ClN8O5/c1-33-34(8-5-10-36(33)55-45(61)43-53-38-28-59(25-12-40(38)57(43)2)24-7-14-48-15-17-50(30-48,18-16-48)32-65-4)35-9-6-11-37(42(35)52)56-46(62)44-54-39-29-60(26-13-41(39)58(44)3)27-23-49-19-21-51(31-49,22-20-49)47(63)64/h5-6,8-11H,7,12-32H2,1-4H3,(H,55,61)(H,56,62)(H,63,64)
• InChIKey: WXZYGWXTHPAHDV-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 146.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.58
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

The IUPAC name of 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid (CID 167053956) is 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid.

What is the SMILES notation for 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

The canonical SMILES for 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid is COCC12CCC(CCCN3CCc4c(nc(C(=O)Nc5cccc(-c6cccc(NC(=O)c7nc8c(n7C)CCN(CCC79CCC(C(=O)O)(CC7)C9)C8)c6Cl)c5C)n4C)C3)(CC1)C2.

What is the InChIKey of 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

The InChIKey is WXZYGWXTHPAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H65ClN8O5/c1-33-34(8-5-10-36(33)55-45(61)43-53-38-28-59(25-12-40(38)57(43)2)24-7-14-48-15-17-50(30-48,18-16-48)32-65-4)35-9-6-11-37(42(35)52)56-46(62)44-54-39-29-60(26-13-41(39)58(44)3)27-23-49-19-21-51(31-49,22-20-49)47(63)64/h5-6,8-11H,7,12-32H2,1-4H3,(H,55,61)(H,56,62)(H,63,64).

What are the key properties of 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 905.58 g/mol, XLogP of 8.81, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[[2-chloro-3-[3-[[5-[3-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]propyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 167053956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).