5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C42H50ClFN8O4 — CID 170734748

About 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170734748) has the molecular formula C42H50ClFN8O4 and a molecular weight of 785.37 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170734748
• Molecular Formula: C42H50ClFN8O4
• Molecular Weight: 785.37 g/mol
• Exact Mass: 784.36
• IUPAC Name: 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3C)c2Cl)cc(F)c1CNC1CCN(C(C)=O)CC1
• InChI: InChI=1S/C42H50ClFN8O4/c1-25-31(7-6-8-35(25)48-42(55)41-47-36-24-52(20-14-37(36)49(41)4)30-12-18-51(19-13-30)27(3)54)32-9-15-45-40(39(32)43)28-21-34(44)33(38(22-28)56-5)23-46-29-10-16-50(17-11-29)26(2)53/h6-9,15,21-22,29-30,46H,10-14,16-20,23-24H2,1-5H3,(H,48,55)
• InChIKey: UJTGMNKOXSCZEE-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 124.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.37
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170734748) is 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C4CCN(C(C)=O)CC4)C5)c3C)c2Cl)cc(F)c1CNC1CCN(C(C)=O)CC1.

What is the InChIKey of 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is UJTGMNKOXSCZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50ClFN8O4/c1-25-31(7-6-8-35(25)48-42(55)41-47-36-24-52(20-14-37(36)49(41)4)30-12-18-51(19-13-30)27(3)54)32-9-15-45-40(39(32)43)28-21-34(44)33(38(22-28)56-5)23-46-29-10-16-50(17-11-29)26(2)53/h6-9,15,21-22,29-30,46H,10-14,16-20,23-24H2,1-5H3,(H,48,55).

What are the key properties of 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 785.37 g/mol, XLogP of 5.98, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-acetylpiperidin-4-yl)-N-[3-[2-[4-[[(1-acetylpiperidin-4-yl)amino]methyl]-3-fluoro-5-methoxyphenyl]-3-chloro-4-pyridinyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170734748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).