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

C31H31FN4O3 — CID 18753816

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

6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753816) has the molecular formula C31H31FN4O3 and a molecular weight of 526.61 g/mol. Its IUPAC name is 6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• PubChem CID: 18753816
• Molecular Formula: C31H31FN4O3
• Molecular Weight: 526.61 g/mol
• Exact Mass: 526.24
• IUPAC Name: 6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• SMILES: COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2F)NC3)cc1
• InChI: InChI=1S/C31H31FN4O3/c1-39-24-9-7-22(8-10-24)36-19-34-28-17-33-29(31(38)30(28)36)26-11-6-20(16-27(26)32)25-5-3-2-4-21(25)18-35-14-12-23(37)13-15-35/h2-11,16,19,23,29,33,37H,12-15,17-18H2,1H3
• InChIKey: QRFYMGZTLZGWQH-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.61
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753816) is 6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)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-[(4-hydroxypiperidin-1-yl)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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is COc1ccc(-n2cnc3c2C(=O)C(c2ccc(-c4ccccc4CN4CCC(O)CC4)cc2F)NC3)cc1.

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

The InChIKey is QRFYMGZTLZGWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN4O3/c1-39-24-9-7-22(8-10-24)36-19-34-28-17-33-29(31(38)30(28)36)26-11-6-20(16-27(26)32)25-5-3-2-4-21(25)18-35-14-12-23(37)13-15-35/h2-11,16,19,23,29,33,37H,12-15,17-18H2,1H3.

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

6-[2-fluoro-4-[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 526.61 g/mol, XLogP of 4.67, 6 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-[(4-hydroxypiperidin-1-yl)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).