3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole

C43H31FN6O — CID 68812762

About 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole

3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 68812762) has the molecular formula C43H31FN6O and a molecular weight of 666.76 g/mol. Its IUPAC name is 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
• PubChem CID: 68812762
• Molecular Formula: C43H31FN6O
• Molecular Weight: 666.76 g/mol
• Exact Mass: 666.25
• IUPAC Name: 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole
• SMILES: Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1
• InChI: InChI=1S/C43H31FN6O/c44-36-24-21-30(22-25-36)40-37(32-23-26-39-45-27-38(49(39)28-32)41-46-42(51-48-41)31-13-5-1-6-14-31)29-50(47-40)43(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-19,21-29,35H,20H2
• InChIKey: WPBDGYIGHYCKTP-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 74.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.76
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?

The IUPAC name of 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole (CID 68812762) is 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole.

What is the SMILES notation for 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?

The canonical SMILES for 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4noc(-c5ccccc5)n4)n3c2)cc1.

What is the InChIKey of 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?

The InChIKey is WPBDGYIGHYCKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31FN6O/c44-36-24-21-30(22-25-36)40-37(32-23-26-39-45-27-38(49(39)28-32)41-46-42(51-48-41)31-13-5-1-6-14-31)29-50(47-40)43(33-15-7-2-8-16-33,34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-19,21-29,35H,20H2.

What are the key properties of 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole?

3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 666.76 g/mol, XLogP of 9.65, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 68812762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).