3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione

C33H23FN6O4 — CID 71622400

About 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione

3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione (PubChem CID 71622400) has the molecular formula C33H23FN6O4 and a molecular weight of 586.58 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione
• PubChem CID: 71622400
• Molecular Formula: C33H23FN6O4
• Molecular Weight: 586.58 g/mol
• Exact Mass: 586.18
• IUPAC Name: 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione
• SMILES: Cc1nnc(-c2cccc(-c3nc(C(=O)c4ccc5c(c4)c(=O)n(Cc4ccc(F)cc4)c(=O)n5C)n4ccccc34)c2)o1
• InChI: InChI=1S/C33H23FN6O4/c1-19-36-37-31(44-19)23-7-5-6-21(16-23)28-27-8-3-4-15-39(27)30(35-28)29(41)22-11-14-26-25(17-22)32(42)40(33(43)38(26)2)18-20-9-12-24(34)13-10-20/h3-17H,18H2,1-2H3
• InChIKey: XVKVCQMTRMNZGJ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 117.29 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.58
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione?

The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione (CID 71622400) is 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione.

What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione?

The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione is Cc1nnc(-c2cccc(-c3nc(C(=O)c4ccc5c(c4)c(=O)n(Cc4ccc(F)cc4)c(=O)n5C)n4ccccc34)c2)o1.

What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione?

The InChIKey is XVKVCQMTRMNZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FN6O4/c1-19-36-37-31(44-19)23-7-5-6-21(16-23)28-27-8-3-4-15-39(27)30(35-28)29(41)22-11-14-26-25(17-22)32(42)40(33(43)38(26)2)18-20-9-12-24(34)13-10-20/h3-17H,18H2,1-2H3.

What are the key properties of 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione?

3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione has a molecular weight of 586.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)methyl]-1-methyl-6-[1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]imidazo[1,5-a]pyridine-3-carbonyl]quinazoline-2,4-dione is sourced from PubChem (CID 71622400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).