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

C38H25F2N5S — CID 22032205

IUPAC2-[8-fluoro-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(F)c3ncc(-c4nccs4)n3c2)cc1
InChIInChI=1S/C38H25F2N5S/c39-31-18-16-26(17-19-31)35-32(27-22-33(40)36-42-23-34(44(36)24-27)37-41-20-21-46-37)25-45(43-35)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H
InChIKeySXQLMBCIZASXFP-UHFFFAOYSA-N
MW621.72 g/mol
LogP9.11
Rot. Bonds7

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

2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 22032205) has the molecular formula C38H25F2N5S and a molecular weight of 621.72 g/mol. Its IUPAC name is 2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID22032205
Molecular FormulaC38H25F2N5S
Molecular Weight621.72 g/mol
Exact Mass621.18
IUPAC Name2-[8-fluoro-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(F)c3ncc(-c4nccs4)n3c2)cc1
InChIInChI=1S/C38H25F2N5S/c39-31-18-16-26(17-19-31)35-32(27-22-33(40)36-42-23-34(44(36)24-27)37-41-20-21-46-37)25-45(43-35)38(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-25H
InChIKeySXQLMBCIZASXFP-UHFFFAOYSA-N
XLogP9.11
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.72
LogP ≤ 59.11
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-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 22032205) is 2-[8-fluoro-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-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[8-fluoro-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(F)c3ncc(-c4nccs4)n3c2)cc1.
What is the InChIKey of 2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is SXQLMBCIZASXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25F2N5S/c39-31-18-16-26(17-19-31)35-32(27-22-33(40)36-42-23-34(44(36)24-27)37-41-20-21-46-37)25-45(43-35)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-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 621.72 g/mol, XLogP of 9.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-fluoro-6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 22032205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).