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

C35H23ClF2N4 — CID 22031165

IUPAC8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3nccn3c2)c(F)c1
InChIInChI=1S/C35H23ClF2N4/c36-31-20-24(22-41-19-18-39-34(31)41)30-23-42(40-33(30)29-17-16-28(37)21-32(29)38)35(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-23H
InChIKeyCFGSNVJNUKJOMT-UHFFFAOYSA-N
MW573.05 g/mol
LogP8.64
Rot. Bonds6

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

8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 22031165) has the molecular formula C35H23ClF2N4 and a molecular weight of 573.05 g/mol. Its IUPAC name is 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID22031165
Molecular FormulaC35H23ClF2N4
Molecular Weight573.05 g/mol
Exact Mass572.16
IUPAC Name8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3nccn3c2)c(F)c1
InChIInChI=1S/C35H23ClF2N4/c36-31-20-24(22-41-19-18-39-34(31)41)30-23-42(40-33(30)29-17-16-28(37)21-32(29)38)35(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-23H
InChIKeyCFGSNVJNUKJOMT-UHFFFAOYSA-N
XLogP8.64
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.05
LogP ≤ 58.64
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-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine (CID 22031165) is 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3nccn3c2)c(F)c1.
What is the InChIKey of 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is CFGSNVJNUKJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23ClF2N4/c36-31-20-24(22-41-19-18-39-34(31)41)30-23-42(40-33(30)29-17-16-28(37)21-32(29)38)35(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-23H.
What are the key properties of 8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine?
8-chloro-6-[3-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 573.05 g/mol, XLogP of 8.64, 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-(2,4-difluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 22031165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).