6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

C29H29FN4O2 — CID 18753900

About 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one

6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753900) has the molecular formula C29H29FN4O2 and a molecular weight of 484.58 g/mol. Its IUPAC name is 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• PubChem CID: 18753900
• Molecular Formula: C29H29FN4O2
• Molecular Weight: 484.58 g/mol
• Exact Mass: 484.23
• IUPAC Name: 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• SMILES: CCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1
• InChI: InChI=1S/C29H29FN4O2/c1-4-33(2)17-20-7-5-6-8-23(20)19-9-14-24(25(30)15-19)27-29(35)28-26(16-31-27)32-18-34(28)21-10-12-22(36-3)13-11-21/h5-15,18,27,31H,4,16-17H2,1-3H3
• InChIKey: PEIKAMMZBMQHFY-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.58
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?

The IUPAC name of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753900) is 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

What is the SMILES notation for 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?

The canonical SMILES for 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is CCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1.

What is the InChIKey of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?

The InChIKey is PEIKAMMZBMQHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O2/c1-4-33(2)17-20-7-5-6-8-23(20)19-9-14-24(25(30)15-19)27-29(35)28-26(16-31-27)32-18-34(28)21-10-12-22(36-3)13-11-21/h5-15,18,27,31H,4,16-17H2,1-3H3.

What are the key properties of 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one?

6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 484.58 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[[ethyl(methyl)amino]methyl]phenyl]-2-fluorophenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).