6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine

C40H29FN4S2 — CID 22031561

IUPAC6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C40H29FN4S2/c1-46-38-24-22-36(47-38)35-25-42-37-23-19-29(26-44(35)37)34-27-45(43-39(34)28-17-20-33(41)21-18-28)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-27H,1H3
InChIKeyHJMJLZUKEJSTCT-UHFFFAOYSA-N
MW648.83 g/mol
LogP10.29
Rot. Bonds8

About 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine

6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 22031561) has the molecular formula C40H29FN4S2 and a molecular weight of 648.83 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID22031561
Molecular FormulaC40H29FN4S2
Molecular Weight648.83 g/mol
Exact Mass648.18
IUPAC Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESCSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C40H29FN4S2/c1-46-38-24-22-36(47-38)35-25-42-37-23-19-29(26-44(35)37)34-27-45(43-39(34)28-17-20-33(41)21-18-28)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-27H,1H3
InChIKeyHJMJLZUKEJSTCT-UHFFFAOYSA-N
XLogP10.29
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.83
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine (CID 22031561) is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine is CSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)s1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is HJMJLZUKEJSTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29FN4S2/c1-46-38-24-22-36(47-38)35-25-42-37-23-19-29(26-44(35)37)34-27-45(43-39(34)28-17-20-33(41)21-18-28)40(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-27H,1H3.
What are the key properties of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine?
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 648.83 g/mol, XLogP of 10.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-methylsulfanylthiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).