3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C28H22FN5O2 — CID 121417749

About 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 121417749) has the molecular formula C28H22FN5O2 and a molecular weight of 479.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 121417749
• Molecular Formula: C28H22FN5O2
• Molecular Weight: 479.52 g/mol
• Exact Mass: 479.18
• IUPAC Name: 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
• SMILES: Cc1noc(-c2ccc(Cn3c4c(c(-c5ccc(F)cc5)c3-c3ccncc3)C(=O)NCC4)cc2)n1
• InChI: InChI=1S/C28H22FN5O2/c1-17-32-28(36-33-17)21-4-2-18(3-5-21)16-34-23-12-15-31-27(35)25(23)24(19-6-8-22(29)9-7-19)26(34)20-10-13-30-14-11-20/h2-11,13-14H,12,15-16H2,1H3,(H,31,35)
• InChIKey: MHXMNRFUINZABZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.52
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 121417749) is 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1noc(-c2ccc(Cn3c4c(c(-c5ccc(F)cc5)c3-c3ccncc3)C(=O)NCC4)cc2)n1.

What is the InChIKey of 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?

The InChIKey is MHXMNRFUINZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O2/c1-17-32-28(36-33-17)21-4-2-18(3-5-21)16-34-23-12-15-31-27(35)25(23)24(19-6-8-22(29)9-7-19)26(34)20-10-13-30-14-11-20/h2-11,13-14H,12,15-16H2,1H3,(H,31,35).

What are the key properties of 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?

3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 479.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 121417749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).