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

C29H29FN4O3 — CID 18753745

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

6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753745) has the molecular formula C29H29FN4O3 and a molecular weight of 500.57 g/mol. Its IUPAC name is 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

Molecular Properties

• Compound Name: 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• PubChem CID: 18753745
• Molecular Formula: C29H29FN4O3
• Molecular Weight: 500.57 g/mol
• Exact Mass: 500.22
• IUPAC Name: 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• SMILES: COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN(C)CCO)cc2F)NC3)cc1
• InChI: InChI=1S/C29H29FN4O3/c1-33(13-14-35)17-20-5-3-4-6-23(20)19-7-12-24(25(30)15-19)27-29(36)28-26(16-31-27)32-18-34(28)21-8-10-22(37-2)11-9-21/h3-12,15,18,27,31,35H,13-14,16-17H2,1-2H3
• InChIKey: FNGOLWWJNDCLQT-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.57
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753745) is 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one.

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

The canonical SMILES for 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN(C)CCO)cc2F)NC3)cc1.

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

The InChIKey is FNGOLWWJNDCLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O3/c1-33(13-14-35)17-20-5-3-4-6-23(20)19-7-12-24(25(30)15-19)27-29(36)28-26(16-31-27)32-18-34(28)21-8-10-22(37-2)11-9-21/h3-12,15,18,27,31,35H,13-14,16-17H2,1-2H3.

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

6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 500.57 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-fluoro-4-[2-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).