3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid

C42H50Cl2N8O4 — CID 175849108

About 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid

3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid (PubChem CID 175849108) has the molecular formula C42H50Cl2N8O4 and a molecular weight of 801.82 g/mol. Its IUPAC name is 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid.

Molecular Properties

• Compound Name: 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid
• PubChem CID: 175849108
• Molecular Formula: C42H50Cl2N8O4
• Molecular Weight: 801.82 g/mol
• Exact Mass: 800.33
• IUPAC Name: 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid
• SMILES: Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CC(C)(C)C(=O)O)C5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(CC1)C3)C2
• InChI: InChI=1S/C42H50Cl2N8O4/c1-41(2,40(55)56)24-52-19-14-33-31(23-52)46-37(50(33)4)39(54)48-29-10-6-8-27(35(29)44)26-7-5-9-28(34(26)43)47-38(53)36-45-30-22-51(18-13-32(30)49(36)3)20-17-42-15-11-25(21-42)12-16-42/h5-10,25H,11-24H2,1-4H3,(H,47,53)(H,48,54)(H,55,56)
• InChIKey: FJKOAQVWOGMANR-UHFFFAOYSA-N
• XLogP: 7.43
• TPSA: 137.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.82
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid (CID 175849108) is 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid.

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

The canonical SMILES for 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid is Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(CC(C)(C)C(=O)O)C5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(CC1)C3)C2.

What is the InChIKey of 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid?

The InChIKey is FJKOAQVWOGMANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50Cl2N8O4/c1-41(2,40(55)56)24-52-19-14-33-31(23-52)46-37(50(33)4)39(54)48-29-10-6-8-27(35(29)44)26-7-5-9-28(34(26)43)47-38(53)36-45-30-22-51(18-13-32(30)49(36)3)20-17-42-15-11-25(21-42)12-16-42/h5-10,25H,11-24H2,1-4H3,(H,47,53)(H,48,54)(H,55,56).

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

3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid has a molecular weight of 801.82 g/mol, XLogP of 7.43, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3-[3-[[5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-chlorophenyl]-2-chlorophenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 175849108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).