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

C30H32FN7O3S — CID 66854891

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

4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (PubChem CID 66854891) has the molecular formula C30H32FN7O3S and a molecular weight of 589.70 g/mol. Its IUPAC name is 4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-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-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
• PubChem CID: 66854891
• Molecular Formula: C30H32FN7O3S
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.23
• IUPAC Name: 4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
• SMILES: Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn(C3CCCCO3)n2)s1
• InChI: InChI=1S/C30H32FN7O3S/c1-20-26(24-18-21(9-10-37(24)34-20)40-17-13-36-11-15-39-16-12-36)30-33-27(22-6-2-3-7-23(22)31)28(42-30)29-32-19-38(35-29)25-8-4-5-14-41-25/h2-3,6-7,9-10,18-19,25H,4-5,8,11-17H2,1H3
• InChIKey: TYWLLBCFXLUTQH-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 91.83 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-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-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine (CID 66854891) is 4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-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-[1-(oxan-2-yl)-1,2,4-triazol-3-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-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn(C3CCCCO3)n2)s1.

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

The InChIKey is TYWLLBCFXLUTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3S/c1-20-26(24-18-21(9-10-37(24)34-20)40-17-13-36-11-15-39-16-12-36)30-33-27(22-6-2-3-7-23(22)31)28(42-30)29-32-19-38(35-29)25-8-4-5-14-41-25/h2-3,6-7,9-10,18-19,25H,4-5,8,11-17H2,1H3.

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

4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine has a molecular weight of 589.70 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3-[4-(2-fluorophenyl)-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 66854891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).