methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate

C60H78ClN7O5 — CID 171417904

About methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate

methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate (PubChem CID 171417904) has the molecular formula C60H78ClN7O5 and a molecular weight of 1012.78 g/mol. Its IUPAC name is methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate
• PubChem CID: 171417904
• Molecular Formula: C60H78ClN7O5
• Molecular Weight: 1012.78 g/mol
• Exact Mass: 1011.58
• IUPAC Name: methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate
• SMILES: COCC12CCC(CCN3CCc4c(nc(C(=O)Nc5cccc(-c6cccc(C7C(C)CCC8C(C)(C)C78C(=O)c7nc8c(n7C)CCN(CC79CCC(C(=O)OC)(CC7)C9)C8)c6Cl)c5C)n4C)C3)(CC1)C2
• InChI: InChI=1S/C60H78ClN7O5/c1-37-15-16-47-55(3,4)60(47,50(69)51-62-44-32-68(29-18-45(44)65(51)5)35-57-23-25-59(34-57,26-24-57)54(71)73-8)48(37)41-13-9-12-40(49(41)61)39-11-10-14-42(38(39)2)64-53(70)52-63-43-31-67(28-17-46(43)66(52)6)30-27-56-19-21-58(33-56,22-20-56)36-72-7/h9-14,37,47-48H,15-36H2,1-8H3,(H,64,70)
• InChIKey: HPZBVARYOLZCDM-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 123.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.78
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate?

The IUPAC name of methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate (CID 171417904) is methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate.

What is the SMILES notation for methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate?

The canonical SMILES for methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate is COCC12CCC(CCN3CCc4c(nc(C(=O)Nc5cccc(-c6cccc(C7C(C)CCC8C(C)(C)C78C(=O)c7nc8c(n7C)CCN(CC79CCC(C(=O)OC)(CC7)C9)C8)c6Cl)c5C)n4C)C3)(CC1)C2.

What is the InChIKey of methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate?

The InChIKey is HPZBVARYOLZCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H78ClN7O5/c1-37-15-16-47-55(3,4)60(47,50(69)51-62-44-32-68(29-18-45(44)65(51)5)35-57-23-25-59(34-57,26-24-57)54(71)73-8)48(37)41-13-9-12-40(49(41)61)39-11-10-14-42(38(39)2)64-53(70)52-63-43-31-67(28-17-46(43)66(52)6)30-27-56-19-21-58(33-56,22-20-56)36-72-7/h9-14,37,47-48H,15-36H2,1-8H3,(H,64,70).

What are the key properties of methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate?

methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate has a molecular weight of 1012.78 g/mol, XLogP of 10.90, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[2-[2-[2-chloro-3-[3-[[5-[2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbonyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]bicyclo[2.2.1]heptane-1-carboxylate is sourced from PubChem (CID 171417904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).