2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

C38H27F2N5S — CID 68812430

About 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole

2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 68812430) has the molecular formula C38H27F2N5S and a molecular weight of 623.73 g/mol. Its IUPAC name is 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
• PubChem CID: 68812430
• Molecular Formula: C38H27F2N5S
• Molecular Weight: 623.73 g/mol
• Exact Mass: 623.20
• IUPAC Name: 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
• SMILES: Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2cc(F)c3ncc(-c4nccs4)n3c2)cc1
• InChI: InChI=1S/C38H27F2N5S/c39-31-18-16-26(17-19-31)35-32(27-22-33(40)36-42-23-34(44(36)24-27)37-41-20-21-46-37)25-45(43-35)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-14,16-25,30H,15H2
• InChIKey: SFLIQVKDHQJBBD-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 48.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.73
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?

The IUPAC name of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 68812430) is 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

What is the SMILES notation for 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?

The canonical SMILES for 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2cc(F)c3ncc(-c4nccs4)n3c2)cc1.

What is the InChIKey of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?

The InChIKey is SFLIQVKDHQJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27F2N5S/c39-31-18-16-26(17-19-31)35-32(27-22-33(40)36-42-23-34(44(36)24-27)37-41-20-21-46-37)25-45(43-35)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-14,16-25,30H,15H2.

What are the key properties of 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?

2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 623.73 g/mol, XLogP of 9.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-8-fluoroimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 68812430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).