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

C40H27ClFN5 — CID 22032489

IUPAC8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3ncc(-c4ccccn4)n3c2)cc1
InChIInChI=1S/C40H27ClFN5/c41-35-24-29(26-46-37(25-44-39(35)46)36-18-10-11-23-43-36)34-27-47(45-38(34)28-19-21-33(42)22-20-28)40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H
InChIKeyLWESYKQYOYRSRL-UHFFFAOYSA-N
MW632.14 g/mol
LogP9.56
Rot. Bonds7

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

8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (PubChem CID 22032489) has the molecular formula C40H27ClFN5 and a molecular weight of 632.14 g/mol. Its IUPAC name is 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
PubChem CID22032489
Molecular FormulaC40H27ClFN5
Molecular Weight632.14 g/mol
Exact Mass631.19
IUPAC Name8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3ncc(-c4ccccn4)n3c2)cc1
InChIInChI=1S/C40H27ClFN5/c41-35-24-29(26-46-37(25-44-39(35)46)36-18-10-11-23-43-36)34-27-47(45-38(34)28-19-21-33(42)22-20-28)40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H
InChIKeyLWESYKQYOYRSRL-UHFFFAOYSA-N
XLogP9.56
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.14
LogP ≤ 59.56
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 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine (CID 22032489) is 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3ncc(-c4ccccn4)n3c2)cc1.
What is the InChIKey of 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
The InChIKey is LWESYKQYOYRSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27ClFN5/c41-35-24-29(26-46-37(25-44-39(35)46)36-18-10-11-23-43-36)34-27-47(45-38(34)28-19-21-33(42)22-20-28)40(30-12-4-1-5-13-30,31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-27H.
What are the key properties of 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine?
8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine has a molecular weight of 632.14 g/mol, XLogP of 9.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-3-pyridin-2-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 22032489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).