4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine

C26H26FN7O3S — CID 58094920

About 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine

4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (PubChem CID 58094920) has the molecular formula C26H26FN7O3S and a molecular weight of 535.61 g/mol. Its IUPAC name is 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
• PubChem CID: 58094920
• Molecular Formula: C26H26FN7O3S
• Molecular Weight: 535.61 g/mol
• Exact Mass: 535.18
• IUPAC Name: 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
• SMILES: COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCCN4CCOCC4)cc23)sc1-c1ncn[nH]1
• InChI: InChI=1S/C26H26FN7O3S/c1-16-21(19-14-17(6-7-34(19)32-16)37-13-10-33-8-11-36-12-9-33)26-30-23(24(38-26)25-28-15-29-31-25)22-18(27)4-3-5-20(22)35-2/h3-7,14-15H,8-13H2,1-2H3,(H,28,29,31)
• InChIKey: YWZRXDKPTAMQTP-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 102.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.61
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?

The IUPAC name of 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (CID 58094920) is 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine.

What is the SMILES notation for 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?

The canonical SMILES for 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is COc1cccc(F)c1-c1nc(-c2c(C)nn3ccc(OCCN4CCOCC4)cc23)sc1-c1ncn[nH]1.

What is the InChIKey of 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?

The InChIKey is YWZRXDKPTAMQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3S/c1-16-21(19-14-17(6-7-34(19)32-16)37-13-10-33-8-11-36-12-9-33)26-30-23(24(38-26)25-28-15-29-31-25)22-18(27)4-3-5-20(22)35-2/h3-7,14-15H,8-13H2,1-2H3,(H,28,29,31).

What are the key properties of 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine?

4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine has a molecular weight of 535.61 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[4-(2-fluoro-6-methoxyphenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 58094920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).