6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one

C35H26FN5O2 — CID 140869574

About 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one

6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one (PubChem CID 140869574) has the molecular formula C35H26FN5O2 and a molecular weight of 567.62 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one
• PubChem CID: 140869574
• Molecular Formula: C35H26FN5O2
• Molecular Weight: 567.62 g/mol
• Exact Mass: 567.21
• IUPAC Name: 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one
• SMILES: Cc1nnc(Cn2c(=O)n(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(-c4ccc(F)cc4)cc32)o1
• InChI: InChI=1S/C35H26FN5O2/c1-24-38-39-32(43-24)23-40-31-21-26(25-17-19-30(36)20-18-25)22-37-33(31)41(34(40)42)35(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-22H,23H2,1H3
• InChIKey: DORRTDLZIQSPAV-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 78.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.62
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one (CID 140869574) is 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one is Cc1nnc(Cn2c(=O)n(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ncc(-c4ccc(F)cc4)cc32)o1.

What is the InChIKey of 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one?

The InChIKey is DORRTDLZIQSPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26FN5O2/c1-24-38-39-32(43-24)23-40-31-21-26(25-17-19-30(36)20-18-25)22-37-33(31)41(34(40)42)35(27-11-5-2-6-12-27,28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-22H,23H2,1H3.

What are the key properties of 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one?

6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one has a molecular weight of 567.62 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-tritylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 140869574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).