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

C42H31FN4O — CID 22031999

IUPAC6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C42H31FN4O/c1-48-37-24-19-30(20-25-37)39-27-44-40-26-21-32(28-46(39)40)38-29-47(45-41(38)31-17-22-36(43)23-18-31)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-29H,1H3
InChIKeyCNZWUBQQKYDTIM-UHFFFAOYSA-N
MW626.74 g/mol
LogP9.52
Rot. Bonds8

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

6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 22031999) has the molecular formula C42H31FN4O and a molecular weight of 626.74 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID22031999
Molecular FormulaC42H31FN4O
Molecular Weight626.74 g/mol
Exact Mass626.25
IUPAC Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C42H31FN4O/c1-48-37-24-19-30(20-25-37)39-27-44-40-26-21-32(28-46(39)40)38-29-47(45-41(38)31-17-22-36(43)23-18-31)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-29H,1H3
InChIKeyCNZWUBQQKYDTIM-UHFFFAOYSA-N
XLogP9.52
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.74
LogP ≤ 59.52
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
Methyl substituted pyrazole, 28
CID 23648676
7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-fluorophenyl)-3-(3-methoxyphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879452
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
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
2-(3-Fluoro-4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridine
CID 832352
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
Imidazopyridine 10d
CID 5329343
5-[3-(3-Methoxyphenyl)propyl]-2-phenylpyrazolo[4,3-d]pyrimidin-7-amine
CID 118708236

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine (CID 22031999) is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cnc3ccc(-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)imidazo[1,2-a]pyridine?
The InChIKey is CNZWUBQQKYDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31FN4O/c1-48-37-24-19-30(20-25-37)39-27-44-40-26-21-32(28-46(39)40)38-29-47(45-41(38)31-17-22-36(43)23-18-31)42(33-11-5-2-6-12-33,34-13-7-3-8-14-34)35-15-9-4-10-16-35/h2-29H,1H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine?
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 626.74 g/mol, XLogP of 9.52, 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)imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).