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

C44H30FN5S — CID 22030975

IUPAC6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(-c5ccccn5)s4)n3c2)cc1
InChIInChI=1S/C44H30FN5S/c45-36-22-19-31(20-23-36)43-37(32-21-26-42-47-28-39(49(42)29-32)41-25-24-40(51-41)38-18-10-11-27-46-38)30-50(48-43)44(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-30H
InChIKeyUFLSJDPMWSVRCS-UHFFFAOYSA-N
MW679.82 g/mol
LogP10.63
Rot. Bonds8

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

6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine (PubChem CID 22030975) has the molecular formula C44H30FN5S and a molecular weight of 679.82 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine
PubChem CID22030975
Molecular FormulaC44H30FN5S
Molecular Weight679.82 g/mol
Exact Mass679.22
IUPAC Name6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(-c5ccccn5)s4)n3c2)cc1
InChIInChI=1S/C44H30FN5S/c45-36-22-19-31(20-23-36)43-37(32-21-26-42-47-28-39(49(42)29-32)41-25-24-40(51-41)38-18-10-11-27-46-38)30-50(48-43)44(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-30H
InChIKeyUFLSJDPMWSVRCS-UHFFFAOYSA-N
XLogP10.63
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine (CID 22030975) is 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2ccc3ncc(-c4ccc(-c5ccccn5)s4)n3c2)cc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine?
The InChIKey is UFLSJDPMWSVRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30FN5S/c45-36-22-19-31(20-23-36)43-37(32-21-26-42-47-28-39(49(42)29-32)41-25-24-40(51-41)38-18-10-11-27-46-38)30-50(48-43)44(33-12-4-1-5-13-33,34-14-6-2-7-15-34)35-16-8-3-9-17-35/h1-30H.
What are the key properties of 6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine?
6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine has a molecular weight of 679.82 g/mol, XLogP of 10.63, 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-pyridin-2-ylthiophen-2-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 22030975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).