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

C25H24FN7O2S — CID 58094776

About 4-[2-[3-[4-(2-fluorophenyl)-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-fluorophenyl)-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 58094776) has the molecular formula C25H24FN7O2S and a molecular weight of 505.58 g/mol. Its IUPAC name is 4-[2-[3-[4-(2-fluorophenyl)-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-fluorophenyl)-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: 58094776
• Molecular Formula: C25H24FN7O2S
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.17
• IUPAC Name: 4-[2-[3-[4-(2-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
• SMILES: Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1
• InChI: InChI=1S/C25H24FN7O2S/c1-16-21(20-14-17(6-7-33(20)31-16)35-13-10-32-8-11-34-12-9-32)25-29-22(18-4-2-3-5-19(18)26)23(36-25)24-27-15-28-30-24/h2-7,14-15H,8-13H2,1H3,(H,27,28,30)
• InChIKey: GUSYOCKGLUNMAY-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 93.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(2-fluorophenyl)-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-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (CID 58094776) is 4-[2-[3-[4-(2-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn[nH]2)s1.

What is the InChIKey of 4-[2-[3-[4-(2-fluorophenyl)-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 GUSYOCKGLUNMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2S/c1-16-21(20-14-17(6-7-33(20)31-16)35-13-10-32-8-11-34-12-9-32)25-29-22(18-4-2-3-5-19(18)26)23(36-25)24-27-15-28-30-24/h2-7,14-15H,8-13H2,1H3,(H,27,28,30).

What are the key properties of 4-[2-[3-[4-(2-fluorophenyl)-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-fluorophenyl)-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 505.58 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[4-(2-fluorophenyl)-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 58094776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).