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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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).