4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C27H29FN8O2S — CID 58094851

About 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58094851) has the molecular formula C27H29FN8O2S and a molecular weight of 548.65 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
• PubChem CID: 58094851
• Molecular Formula: C27H29FN8O2S
• Molecular Weight: 548.65 g/mol
• Exact Mass: 548.21
• IUPAC Name: 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
• SMILES: COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCCN4CCN(C)CC4)cc23)sc1-c1ncn[nH]1
• InChI: InChI=1S/C27H29FN8O2S/c1-17-22(20-15-18(7-8-36(20)33-17)38-14-13-35-11-9-34(2)10-12-35)27-31-24(25(39-27)26-29-16-30-32-26)23-19(28)5-4-6-21(23)37-3/h4-8,15-16H,9-14H2,1-3H3,(H,29,30,32)
• InChIKey: HXHXIPKYBBMBRL-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 96.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.65
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58094851) is 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCCN4CCN(C)CC4)cc23)sc1-c1ncn[nH]1.

What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The InChIKey is HXHXIPKYBBMBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8O2S/c1-17-22(20-15-18(7-8-36(20)33-17)38-14-13-35-11-9-34(2)10-12-35)27-31-24(25(39-27)26-29-16-30-32-26)23-19(28)5-4-6-21(23)37-3/h4-8,15-16H,9-14H2,1-3H3,(H,29,30,32).

What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 548.65 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-fluoro-6-methoxyphenyl)-2-[2-methyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58094851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).