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

C38H42Cl2FN7O4 — CID 170735214

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

5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735214) has the molecular formula C38H42Cl2FN7O4 and a molecular weight of 750.70 g/mol. Its IUPAC name is 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 170735214
• Molecular Formula: C38H42Cl2FN7O4
• Molecular Weight: 750.70 g/mol
• Exact Mass: 749.27
• IUPAC Name: 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-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)c3Cl)c2Cl)cc(F)c1CN1CC[C@@H](O)C1
• InChI: InChI=1S/C38H42Cl2FN7O4/c1-22(49)47-14-8-24(9-15-47)48-16-11-32-31(21-48)43-37(45(32)2)38(51)44-30-6-4-5-26(34(30)39)27-7-12-42-36(35(27)40)23-17-29(41)28(33(18-23)52-3)20-46-13-10-25(50)19-46/h4-7,12,17-18,24-25,50H,8-11,13-16,19-21H2,1-3H3,(H,44,51)/t25-/m1/s1
• InChIKey: FYXWHJRLRBSCFL-RUZDIDTESA-N
• XLogP: 5.79
• TPSA: 116.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.70
LogP ≤ 5	5.79
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-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170735214) is 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-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-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for 5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-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)c3Cl)c2Cl)cc(F)c1CN1CC[C@@H](O)C1.

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

The InChIKey is FYXWHJRLRBSCFL-RUZDIDTESA-N. The full InChI is InChI=1S/C38H42Cl2FN7O4/c1-22(49)47-14-8-24(9-15-47)48-16-11-32-31(21-48)43-37(45(32)2)38(51)44-30-6-4-5-26(34(30)39)27-7-12-42-36(35(27)40)23-17-29(41)28(33(18-23)52-3)20-46-13-10-25(50)19-46/h4-7,12,17-18,24-25,50H,8-11,13-16,19-21H2,1-3H3,(H,44,51)/t25-/m1/s1.

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

5-(1-acetylpiperidin-4-yl)-N-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 750.70 g/mol, XLogP of 5.79, 8 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-[2-chloro-3-[3-chloro-2-[3-fluoro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-5-methoxyphenyl]-4-pyridinyl]phenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).