4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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

C43H47Cl2N7O5 — CID 166901302

About 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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 166901302) has the molecular formula C43H47Cl2N7O5 and a molecular weight of 812.80 g/mol. Its IUPAC name is 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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: 166901302
• Molecular Formula: C43H47Cl2N7O5
• Molecular Weight: 812.80 g/mol
• Exact Mass: 811.30
• IUPAC Name: 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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)c4cc5c(cn4)CN(C4CC(O)C4)CC5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(C(=O)O)(CC1)C3)C2
• InChI: InChI=1S/C43H47Cl2N7O5/c1-50-35-9-15-51(17-14-42-10-12-43(24-42,13-11-42)41(56)57)23-34(35)47-38(50)40(55)49-32-7-3-5-30(37(32)45)29-4-2-6-31(36(29)44)48-39(54)33-18-25-8-16-52(22-26(25)21-46-33)27-19-28(53)20-27/h2-7,18,21,27-28,53H,8-17,19-20,22-24H2,1H3,(H,48,54)(H,49,55)(H,56,57)
• InChIKey: IPTVMFGDZJNQJE-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 152.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.80
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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 166901302) is 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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)c4cc5c(cn4)CN(C4CC(O)C4)CC5)c3Cl)c2Cl)nc2c1CCN(CCC13CCC(C(=O)O)(CC1)C3)C2.

What is the InChIKey of 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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 IPTVMFGDZJNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47Cl2N7O5/c1-50-35-9-15-51(17-14-42-10-12-43(24-42,13-11-42)41(56)57)23-34(35)47-38(50)40(55)49-32-7-3-5-30(37(32)45)29-4-2-6-31(36(29)44)48-39(54)33-18-25-8-16-52(22-26(25)21-46-33)27-19-28(53)20-27/h2-7,18,21,27-28,53H,8-17,19-20,22-24H2,1H3,(H,48,54)(H,49,55)(H,56,57).

What are the key properties of 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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 812.80 g/mol, XLogP of 6.96, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[[2-chloro-3-[2-chloro-3-[[7-(3-hydroxycyclobutyl)-6,8-dihydro-5H-2,7-naphthyridine-3-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 166901302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).