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

C30H31FN4O2 — CID 18753899

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

6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (PubChem CID 18753899) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 6-[2-fluoro-4-[2-[[methyl(propyl)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-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• PubChem CID: 18753899
• Molecular Formula: C30H31FN4O2
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.24
• IUPAC Name: 6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one
• SMILES: CCCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1
• InChI: InChI=1S/C30H31FN4O2/c1-4-15-34(2)18-21-7-5-6-8-24(21)20-9-14-25(26(31)16-20)28-30(36)29-27(17-32-28)33-19-35(29)22-10-12-23(37-3)13-11-22/h5-14,16,19,28,32H,4,15,17-18H2,1-3H3
• InChIKey: ZKFGOVLOHOATCX-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.60
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[2-[[methyl(propyl)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-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one (CID 18753899) is 6-[2-fluoro-4-[2-[[methyl(propyl)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-[[methyl(propyl)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-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is CCCN(C)Cc1ccccc1-c1ccc(C2NCc3ncn(-c4ccc(OC)cc4)c3C2=O)c(F)c1.

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

The InChIKey is ZKFGOVLOHOATCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c1-4-15-34(2)18-21-7-5-6-8-24(21)20-9-14-25(26(31)16-20)28-30(36)29-27(17-32-28)33-19-35(29)22-10-12-23(37-3)13-11-22/h5-14,16,19,28,32H,4,15,17-18H2,1-3H3.

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

6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one has a molecular weight of 498.60 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-fluoro-4-[2-[[methyl(propyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-c]pyridin-7-one is sourced from PubChem (CID 18753899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).