4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid

C40H46Cl2N8O4 — CID 135146587

About 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid

4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 135146587) has the molecular formula C40H46Cl2N8O4 and a molecular weight of 773.77 g/mol. Its IUPAC name is 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
• PubChem CID: 135146587
• Molecular Formula: C40H46Cl2N8O4
• Molecular Weight: 773.77 g/mol
• Exact Mass: 772.30
• IUPAC Name: 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid
• SMILES: CC(C)N1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC57CCC(C(=O)O)(CC5)C7)C6)c4Cl)c3Cl)n2C)C1
• InChI: InChI=1S/C40H46Cl2N8O4/c1-23(2)50-18-12-31-29(20-50)44-35(48(31)4)37(52)46-27-10-6-8-25(33(27)42)24-7-5-9-26(32(24)41)45-36(51)34-43-28-19-49(17-11-30(28)47(34)3)22-39-13-15-40(21-39,16-14-39)38(53)54/h5-10,23H,11-22H2,1-4H3,(H,45,51)(H,46,52)(H,53,54)
• InChIKey: JFLGVSIYIDHUOW-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 137.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.77
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

The IUPAC name of 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid (CID 135146587) is 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid.

What is the SMILES notation for 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

The canonical SMILES for 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid is CC(C)N1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC57CCC(C(=O)O)(CC5)C7)C6)c4Cl)c3Cl)n2C)C1.

What is the InChIKey of 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

The InChIKey is JFLGVSIYIDHUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46Cl2N8O4/c1-23(2)50-18-12-31-29(20-50)44-35(48(31)4)37(52)46-27-10-6-8-25(33(27)42)24-7-5-9-26(32(24)41)45-36(51)34-43-28-19-49(17-11-30(28)47(34)3)22-39-13-15-40(21-39,16-14-39)38(53)54/h5-10,23H,11-22H2,1-4H3,(H,45,51)(H,46,52)(H,53,54).

What are the key properties of 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid?

4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 773.77 g/mol, XLogP of 6.79, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[[2-chloro-3-[2-chloro-3-[(1-methyl-5-propan-2-yl-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]methyl]bicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 135146587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).