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

C39H28FN5S — CID 22031239

IUPAC2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCc1cc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cn2c(-c3nccs3)cnc12
InChIInChI=1S/C39H28FN5S/c1-27-23-29(25-44-35(24-42-37(27)44)38-41-21-22-46-38)34-26-45(43-36(34)28-17-19-33(40)20-18-28)39(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-26H,1H3
InChIKeyMPFJGJCEMPETHT-UHFFFAOYSA-N
MW617.75 g/mol
LogP9.28
Rot. Bonds7

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

2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (PubChem CID 22031239) has the molecular formula C39H28FN5S and a molecular weight of 617.75 g/mol. Its IUPAC name is 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
PubChem CID22031239
Molecular FormulaC39H28FN5S
Molecular Weight617.75 g/mol
Exact Mass617.20
IUPAC Name2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
SMILESCc1cc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cn2c(-c3nccs3)cnc12
InChIInChI=1S/C39H28FN5S/c1-27-23-29(25-44-35(24-42-37(27)44)38-41-21-22-46-38)34-26-45(43-36(34)28-17-19-33(40)20-18-28)39(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-26H,1H3
InChIKeyMPFJGJCEMPETHT-UHFFFAOYSA-N
XLogP9.28
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.75
LogP ≤ 59.28
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-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole (CID 22031239) is 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is Cc1cc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cn2c(-c3nccs3)cnc12.
What is the InChIKey of 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
The InChIKey is MPFJGJCEMPETHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28FN5S/c1-27-23-29(25-44-35(24-42-37(27)44)38-41-21-22-46-38)34-26-45(43-36(34)28-17-19-33(40)20-18-28)39(30-11-5-2-6-12-30,31-13-7-3-8-14-31)32-15-9-4-10-16-32/h2-26H,1H3.
What are the key properties of 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole?
2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole has a molecular weight of 617.75 g/mol, XLogP of 9.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]-8-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazole is sourced from PubChem (CID 22031239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).