5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide

C30H32FN7O3 — CID 134347697

About 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide

5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 134347697) has the molecular formula C30H32FN7O3 and a molecular weight of 557.63 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide
• PubChem CID: 134347697
• Molecular Formula: C30H32FN7O3
• Molecular Weight: 557.63 g/mol
• Exact Mass: 557.26
• IUPAC Name: 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide
• SMILES: CC(C)N(C)C(=O)c1cc(F)ccc1-n1c(=O)n(C2CCN(Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c2ccncc21
• InChI: InChI=1S/C30H32FN7O3/c1-18(2)35(3)28(39)22-15-20(31)5-7-25(22)38-27-16-32-11-8-26(27)37(30(38)41)21-9-12-36(13-10-21)17-19-4-6-23-24(14-19)34-29(40)33-23/h4-8,11,14-16,18,21H,9-10,12-13,17H2,1-3H3,(H2,33,34,40)
• InChIKey: BIJNZQSKGBUDMY-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 112.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.63
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide?

The IUPAC name of 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide (CID 134347697) is 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide?

The canonical SMILES for 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1cc(F)ccc1-n1c(=O)n(C2CCN(Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c2ccncc21.

What is the InChIKey of 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide?

The InChIKey is BIJNZQSKGBUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3/c1-18(2)35(3)28(39)22-15-20(31)5-7-25(22)38-27-16-32-11-8-26(27)37(30(38)41)21-9-12-36(13-10-21)17-19-4-6-23-24(14-19)34-29(40)33-23/h4-8,11,14-16,18,21H,9-10,12-13,17H2,1-3H3,(H2,33,34,40).

What are the key properties of 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide?

5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 557.63 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-methyl-2-[2-oxo-1-[1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 134347697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).