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

C40H31FN4S2 — CID 68811756

IUPAC6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C40H31FN4S2/c1-46-38-24-22-36(47-38)35-25-42-37-23-19-29(26-44(35)37)34-27-45(43-39(34)28-17-20-33(41)21-18-28)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-15,17-27,32H,16H2,1H3
InChIKeyLGASDSHPLUSWDB-UHFFFAOYSA-N
MW650.85 g/mol
LogP10.38
Rot. Bonds8

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

6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 68811756) has the molecular formula C40H31FN4S2 and a molecular weight of 650.85 g/mol. Its IUPAC name is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID68811756
Molecular FormulaC40H31FN4S2
Molecular Weight650.85 g/mol
Exact Mass650.20
IUPAC Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C40H31FN4S2/c1-46-38-24-22-36(47-38)35-25-42-37-23-19-29(26-44(35)37)34-27-45(43-39(34)28-17-20-33(41)21-18-28)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-15,17-27,32H,16H2,1H3
InChIKeyLGASDSHPLUSWDB-UHFFFAOYSA-N
XLogP10.38
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.85
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine (CID 68811756) is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine is CSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)s1.
What is the InChIKey of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is LGASDSHPLUSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31FN4S2/c1-46-38-24-22-36(47-38)35-25-42-37-23-19-29(26-44(35)37)34-27-45(43-39(34)28-17-20-33(41)21-18-28)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-15,17-27,32H,16H2,1H3.
What are the key properties of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 650.85 g/mol, XLogP of 10.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 68811756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).