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

C35H24ClFN4 — CID 22031526

IUPAC8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3nccn3c2)cc1
InChIInChI=1S/C35H24ClFN4/c36-32-22-26(23-40-21-20-38-34(32)40)31-24-41(39-33(31)25-16-18-30(37)19-17-25)35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-24H
InChIKeyMHXBYVNBVZCJFQ-UHFFFAOYSA-N
MW555.06 g/mol
LogP8.50
Rot. Bonds6

About 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine

8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 22031526) has the molecular formula C35H24ClFN4 and a molecular weight of 555.06 g/mol. Its IUPAC name is 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID22031526
Molecular FormulaC35H24ClFN4
Molecular Weight555.06 g/mol
Exact Mass554.17
IUPAC Name8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3nccn3c2)cc1
InChIInChI=1S/C35H24ClFN4/c36-32-22-26(23-40-21-20-38-34(32)40)31-24-41(39-33(31)25-16-18-30(37)19-17-25)35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-24H
InChIKeyMHXBYVNBVZCJFQ-UHFFFAOYSA-N
XLogP8.50
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.06
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine (CID 22031526) is 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3nccn3c2)cc1.
What is the InChIKey of 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is MHXBYVNBVZCJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24ClFN4/c36-32-22-26(23-40-21-20-38-34(32)40)31-24-41(39-33(31)25-16-18-30(37)19-17-25)35(27-10-4-1-5-11-27,28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-24H.
What are the key properties of 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 555.06 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).