3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine

C42H30F2N4O — CID 22031609

IUPAC3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1F
InChIInChI=1S/C42H30F2N4O/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/h2-28H,1H3
InChIKeyFHOBSSCYFHJJLY-UHFFFAOYSA-N
MW644.73 g/mol
LogP9.66
Rot. Bonds8

About 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine

3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 22031609) has the molecular formula C42H30F2N4O and a molecular weight of 644.73 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID22031609
Molecular FormulaC42H30F2N4O
Molecular Weight644.73 g/mol
Exact Mass644.24
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1F
InChIInChI=1S/C42H30F2N4O/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/h2-28H,1H3
InChIKeyFHOBSSCYFHJJLY-UHFFFAOYSA-N
XLogP9.66
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.73
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine (CID 22031609) is 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine is COc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is FHOBSSCYFHJJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F2N4O/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/h2-28H,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 644.73 g/mol, XLogP of 9.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).