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

C38H25ClFN5S — CID 22031593

IUPAC2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3ncc(-c4nccs4)n3c2)cc1
InChIInChI=1S/C38H25ClFN5S/c39-33-22-27(24-44-34(23-42-36(33)44)37-41-20-21-46-37)32-25-45(43-35(32)26-16-18-31(40)19-17-26)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H
InChIKeyMIFARMRXKSPRLM-UHFFFAOYSA-N
MW638.17 g/mol
LogP9.62
Rot. Bonds7

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

2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 22031593) has the molecular formula C38H25ClFN5S and a molecular weight of 638.17 g/mol. Its IUPAC name is 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID22031593
Molecular FormulaC38H25ClFN5S
Molecular Weight638.17 g/mol
Exact Mass637.15
IUPAC Name2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESFc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3ncc(-c4nccs4)n3c2)cc1
InChIInChI=1S/C38H25ClFN5S/c39-33-22-27(24-44-34(23-42-36(33)44)37-41-20-21-46-37)32-25-45(43-35(32)26-16-18-31(40)19-17-26)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H
InChIKeyMIFARMRXKSPRLM-UHFFFAOYSA-N
XLogP9.62
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.17
LogP ≤ 59.62
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 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 22031593) is 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is Fc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2-c2cc(Cl)c3ncc(-c4nccs4)n3c2)cc1.
What is the InChIKey of 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is MIFARMRXKSPRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25ClFN5S/c39-33-22-27(24-44-34(23-42-36(33)44)37-41-20-21-46-37)32-25-45(43-35(32)26-16-18-31(40)19-17-26)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H.
What are the key properties of 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 638.17 g/mol, XLogP of 9.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 22031593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).