6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine

C43H33FN4O — CID 23537393

IUPAC6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3cc(C)c(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C43H33FN4O/c1-30-26-41-45-27-40(31-20-24-37(49-2)25-21-31)47(41)28-38(30)39-29-48(46-42(39)32-18-22-36(44)23-19-32)43(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-29H,1-2H3
InChIKeyODJKGHHQWKZOFP-UHFFFAOYSA-N
MW640.76 g/mol
LogP9.83
Rot. Bonds8

About 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine

6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 23537393) has the molecular formula C43H33FN4O and a molecular weight of 640.76 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
PubChem CID23537393
Molecular FormulaC43H33FN4O
Molecular Weight640.76 g/mol
Exact Mass640.26
IUPAC Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3cc(C)c(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C43H33FN4O/c1-30-26-41-45-27-40(31-20-24-37(49-2)25-21-31)47(41)28-38(30)39-29-48(46-42(39)32-18-22-36(44)23-19-32)43(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-29H,1-2H3
InChIKeyODJKGHHQWKZOFP-UHFFFAOYSA-N
XLogP9.83
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.76
LogP ≤ 59.83
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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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
5-(3-Fluoro-4-methoxyphenyl)-6-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 4435429
7-(difluoromethyl)-5-(4-methoxyphenyl)-3-[(2-methyl-1H-imidazol-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1259791
2-(4-Methoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 754802
2-(3-Fluoro-4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 784088
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
4-[2-[4-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11419123

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine (CID 23537393) is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine is COc1ccc(-c2cnc3cc(C)c(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is ODJKGHHQWKZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33FN4O/c1-30-26-41-45-27-40(31-20-24-37(49-2)25-21-31)47(41)28-38(30)39-29-48(46-42(39)32-18-22-36(44)23-19-32)43(33-12-6-3-7-13-33,34-14-8-4-9-15-34)35-16-10-5-11-17-35/h3-29H,1-2H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine?
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 640.76 g/mol, XLogP of 9.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23537393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).