4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone

C87H68N24O2S4 — CID 158839763

About 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone

4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone (PubChem CID 158839763) has the molecular formula C87H68N24O2S4 and a molecular weight of 1609.93 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone
• PubChem CID: 158839763
• Molecular Formula: C87H68N24O2S4
• Molecular Weight: 1609.93 g/mol
• Exact Mass: 1608.48
• IUPAC Name: 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone
• SMILES: CC(=O)c1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1cc(C)cc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1nn2ccccc2c1-c1nc(-c2ccccc2Oc2ccccc2)c(-c2ncn[nH]2)s1
• InChI: InChI=1S/C25H18N6OS.C21H16N6OS.C21H18N6S.C20H16N6S/c1-16-21(19-12-7-8-14-31(19)30-16)25-28-22(23(33-25)24-26-15-27-29-24)18-11-5-6-13-20(18)32-17-9-3-2-4-10-17;1-12-17(16-8-3-4-9-27(16)26-12)21-24-18(19(29-21)20-22-11-23-25-20)15-7-5-6-14(10-15)13(2)28;1-12-8-13(2)10-15(9-12)18-19(20-22-11-23-25-20)28-21(24-18)17-14(3)26-27-7-5-4-6-16(17)27;1-12-6-5-7-14(10-12)17-18(19-21-11-22-24-19)27-20(23-17)16-13(2)25-26-9-4-3-8-15(16)26/h2-15H,1H3,(H,26,27,29);3-11H,1-2H3,(H,22,23,25);4-11H,1-3H3,(H,22,23,25);3-11H,1-2H3,(H,21,22,24)
• InChIKey: IYBXSXCQGQTGQV-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 313.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.93
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone?

The IUPAC name of 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone (CID 158839763) is 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone.

What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone?

The canonical SMILES for 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone is CC(=O)c1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1cc(C)cc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1cccc(-c2nc(-c3c(C)nn4ccccc34)sc2-c2ncn[nH]2)c1.Cc1nn2ccccc2c1-c1nc(-c2ccccc2Oc2ccccc2)c(-c2ncn[nH]2)s1.

What is the InChIKey of 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone?

The InChIKey is IYBXSXCQGQTGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6OS.C21H16N6OS.C21H18N6S.C20H16N6S/c1-16-21(19-12-7-8-14-31(19)30-16)25-28-22(23(33-25)24-26-15-27-29-24)18-11-5-6-13-20(18)32-17-9-3-2-4-10-17;1-12-17(16-8-3-4-9-27(16)26-12)21-24-18(19(29-21)20-22-11-23-25-20)15-7-5-6-14(10-15)13(2)28;1-12-8-13(2)10-15(9-12)18-19(20-22-11-23-25-20)28-21(24-18)17-14(3)26-27-7-5-4-6-16(17)27;1-12-6-5-7-14(10-12)17-18(19-21-11-22-24-19)27-20(23-17)16-13(2)25-26-9-4-3-8-15(16)26/h2-15H,1H3,(H,26,27,29);3-11H,1-2H3,(H,22,23,25);4-11H,1-3H3,(H,22,23,25);3-11H,1-2H3,(H,21,22,24).

What are the key properties of 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone?

4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone has a molecular weight of 1609.93 g/mol, XLogP of 19.79, 15 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(3-methylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;1-[3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]ethanone is sourced from PubChem (CID 158839763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).