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

C39H29FN4S — CID 68811907

IUPAC6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4cccs4)n3c2)cc1
InChIInChI=1S/C39H29FN4S/c40-33-21-18-28(19-22-33)38-34(29-20-23-37-41-25-35(43(37)26-29)36-17-10-24-45-36)27-44(42-38)39(30-11-4-1-5-12-30,31-13-6-2-7-14-31)32-15-8-3-9-16-32/h1-15,17-27,32H,16H2
InChIKeyRARRXWXDDQFSOY-UHFFFAOYSA-N
MW604.75 g/mol
LogP9.66
Rot. Bonds7

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

6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine (PubChem CID 68811907) has the molecular formula C39H29FN4S and a molecular weight of 604.75 g/mol. Its IUPAC name is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
PubChem CID68811907
Molecular FormulaC39H29FN4S
Molecular Weight604.75 g/mol
Exact Mass604.21
IUPAC Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4cccs4)n3c2)cc1
InChIInChI=1S/C39H29FN4S/c40-33-21-18-28(19-22-33)38-34(29-20-23-37-41-25-35(43(37)26-29)36-17-10-24-45-36)27-44(42-38)39(30-11-4-1-5-12-30,31-13-6-2-7-14-31)32-15-8-3-9-16-32/h1-15,17-27,32H,16H2
InChIKeyRARRXWXDDQFSOY-UHFFFAOYSA-N
XLogP9.66
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[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-thiophen-2-ylimidazo[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-thiophen-2-ylimidazo[1,2-a]pyridine (CID 68811907) is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[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-thiophen-2-ylimidazo[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-thiophen-2-ylimidazo[1,2-a]pyridine is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)C3C=CC=CC3)cc2-c2ccc3ncc(-c4cccs4)n3c2)cc1.
What is the InChIKey of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine?
The InChIKey is RARRXWXDDQFSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29FN4S/c40-33-21-18-28(19-22-33)38-34(29-20-23-37-41-25-35(43(37)26-29)36-17-10-24-45-36)27-44(42-38)39(30-11-4-1-5-12-30,31-13-6-2-7-14-31)32-15-8-3-9-16-32/h1-15,17-27,32H,16H2.
What are the key properties of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine?
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-thiophen-2-ylimidazo[1,2-a]pyridine has a molecular weight of 604.75 g/mol, XLogP of 9.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 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-thiophen-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 68811907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).