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

C42H32F2N4O — CID 68813018

IUPAC6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)cc1F
InChIInChI=1S/C42H32F2N4O/c1-49-39-23-19-30(25-37(39)44)38-26-45-40-24-20-31(27-47(38)40)36-28-48(46-41(36)29-17-21-35(43)22-18-29)42(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-15,17-28,34H,16H2,1H3
InChIKeyUTRCVPGNCLHPLP-UHFFFAOYSA-N
MW646.74 g/mol
LogP9.74
Rot. Bonds8

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

6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 68813018) has the molecular formula C42H32F2N4O and a molecular weight of 646.74 g/mol. Its IUPAC name is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)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-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID68813018
Molecular FormulaC42H32F2N4O
Molecular Weight646.74 g/mol
Exact Mass646.25
IUPAC Name6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)cc1F
InChIInChI=1S/C42H32F2N4O/c1-49-39-23-19-30(25-37(39)44)38-26-45-40-24-20-31(27-47(38)40)36-28-48(46-41(36)29-17-21-35(43)22-18-29)42(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-15,17-28,34H,16H2,1H3
InChIKeyUTRCVPGNCLHPLP-UHFFFAOYSA-N
XLogP9.74
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.74
LogP ≤ 59.74
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-(3-fluoro-4-methoxyphenyl)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-(3-fluoro-4-methoxyphenyl)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-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine (CID 68813018) is 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)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-(3-fluoro-4-methoxyphenyl)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-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)C5C=CC=CC5)nc4-c4ccc(F)cc4)cn23)cc1F.
What is the InChIKey of 6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is UTRCVPGNCLHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32F2N4O/c1-49-39-23-19-30(25-37(39)44)38-26-45-40-24-20-31(27-47(38)40)36-28-48(46-41(36)29-17-21-35(43)22-18-29)42(32-11-5-2-6-12-32,33-13-7-3-8-14-33)34-15-9-4-10-16-34/h2-15,17-28,34H,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-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine?
6-[1-[cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-(4-fluorophenyl)pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 646.74 g/mol, XLogP of 9.74, 8 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-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 68813018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).