5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid

C43H46Cl2N10O6 — CID 146234725

About 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid

5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 146234725) has the molecular formula C43H46Cl2N10O6 and a molecular weight of 869.81 g/mol. Its IUPAC name is 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid
• PubChem CID: 146234725
• Molecular Formula: C43H46Cl2N10O6
• Molecular Weight: 869.81 g/mol
• Exact Mass: 868.30
• IUPAC Name: 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid
• SMILES: Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(Cc4cc(C(=O)O)n[nH]4)C5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(C(=O)O)(CC1)C3)C2
• InChI: InChI=1S/C43H46Cl2N10O6/c1-52-32-9-16-54(18-15-42-11-13-43(23-42,14-12-42)41(60)61)21-30(32)46-36(52)38(56)48-27-7-3-5-25(34(27)44)26-6-4-8-28(35(26)45)49-39(57)37-47-31-22-55(17-10-33(31)53(37)2)20-24-19-29(40(58)59)51-50-24/h3-8,19H,9-18,20-23H2,1-2H3,(H,48,56)(H,49,57)(H,50,51)(H,58,59)(H,60,61)
• InChIKey: LOTFRULREAEQNM-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 203.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.81
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid?

The IUPAC name of 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid (CID 146234725) is 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid.

What is the SMILES notation for 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid?

The canonical SMILES for 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid is Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(Cc4cc(C(=O)O)n[nH]4)C5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(C(=O)O)(CC1)C3)C2.

What is the InChIKey of 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid?

The InChIKey is LOTFRULREAEQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46Cl2N10O6/c1-52-32-9-16-54(18-15-42-11-13-43(23-42,14-12-42)41(60)61)21-30(32)46-36(52)38(56)48-27-7-3-5-25(34(27)44)26-6-4-8-28(35(26)45)49-39(57)37-47-31-22-55(17-10-33(31)53(37)2)20-24-19-29(40(58)59)51-50-24/h3-8,19H,9-18,20-23H2,1-2H3,(H,48,56)(H,49,57)(H,50,51)(H,58,59)(H,60,61).

What are the key properties of 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid?

5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 869.81 g/mol, XLogP of 6.39, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[3-[3-[[5-[2-(4-carboxy-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]methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 146234725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).