2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C26H19FN6OS — CID 58095201

IUPAC2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCOc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn[nH]4)s3)n2c1
InChIInChI=1S/C26H19FN6OS/c1-15-23(26-31-22(16-7-4-3-5-8-16)24(35-26)25-28-14-29-32-25)33-13-17(11-12-20(33)30-15)21-18(27)9-6-10-19(21)34-2/h3-14H,1-2H3,(H,28,29,32)
InChIKeyCHSIFAAHXCPPLZ-UHFFFAOYSA-N
MW482.54 g/mol
LogP6.03
Rot. Bonds5

About 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58095201) has the molecular formula C26H19FN6OS and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58095201
Molecular FormulaC26H19FN6OS
Molecular Weight482.54 g/mol
Exact Mass482.13
IUPAC Name2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCOc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn[nH]4)s3)n2c1
InChIInChI=1S/C26H19FN6OS/c1-15-23(26-31-22(16-7-4-3-5-8-16)24(35-26)25-28-14-29-32-25)33-13-17(11-12-20(33)30-15)21-18(27)9-6-10-19(21)34-2/h3-14H,1-2H3,(H,28,29,32)
InChIKeyCHSIFAAHXCPPLZ-UHFFFAOYSA-N
XLogP6.03
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58095201) is 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is COc1cccc(F)c1-c1ccc2nc(C)c(-c3nc(-c4ccccc4)c(-c4ncn[nH]4)s3)n2c1.
What is the InChIKey of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is CHSIFAAHXCPPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6OS/c1-15-23(26-31-22(16-7-4-3-5-8-16)24(35-26)25-28-14-29-32-25)33-13-17(11-12-20(33)30-15)21-18(27)9-6-10-19(21)34-2/h3-14H,1-2H3,(H,28,29,32).
What are the key properties of 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 482.54 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoro-6-methoxyphenyl)-2-methylimidazo[1,2-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58095201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).