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

C42H46Cl2N10O4 — CID 146234788

About 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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 146234788) has the molecular formula C42H46Cl2N10O4 and a molecular weight of 825.80 g/mol. Its IUPAC name is 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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: 146234788
• Molecular Formula: C42H46Cl2N10O4
• Molecular Weight: 825.80 g/mol
• Exact Mass: 824.31
• IUPAC Name: 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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: Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(Cc4ccn[nH]4)C5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(C(=O)O)(CC1)C3)C2
• InChI: InChI=1S/C42H46Cl2N10O4/c1-51-32-10-18-53(20-16-41-12-14-42(24-41,15-13-41)40(57)58)22-30(32)46-36(51)38(55)48-28-7-3-5-26(34(28)43)27-6-4-8-29(35(27)44)49-39(56)37-47-31-23-54(19-11-33(31)52(37)2)21-25-9-17-45-50-25/h3-9,17H,10-16,18-24H2,1-2H3,(H,45,50)(H,48,55)(H,49,56)(H,57,58)
• InChIKey: WWOVWVSYKWXBMM-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 166.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.80
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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 146234788) is 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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 Cn1c(C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(Cc4ccn[nH]4)C5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(C(=O)O)(CC1)C3)C2.

What is the InChIKey of 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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 WWOVWVSYKWXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H46Cl2N10O4/c1-51-32-10-18-53(20-16-41-12-14-42(24-41,15-13-41)40(57)58)22-30(32)46-36(51)38(55)48-28-7-3-5-26(34(28)43)27-6-4-8-29(35(27)44)49-39(56)37-47-31-23-54(19-11-33(31)52(37)2)21-25-9-17-45-50-25/h3-9,17H,10-16,18-24H2,1-2H3,(H,45,50)(H,48,55)(H,49,56)(H,57,58).

What are the key properties of 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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 825.80 g/mol, XLogP of 6.70, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]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 146234788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).