2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine

C47H48FN9O7S3 — CID 160558787

About 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine

2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine (PubChem CID 160558787) has the molecular formula C47H48FN9O7S3 and a molecular weight of 966.16 g/mol. Its IUPAC name is 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine
• PubChem CID: 160558787
• Molecular Formula: C47H48FN9O7S3
• Molecular Weight: 966.16 g/mol
• Exact Mass: 965.28
• IUPAC Name: 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine
• SMILES: Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1nn2ccc(OCCN3CCC(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.c1ccn2nccc2c1
• InChI: InChI=1S/C26H26FN7OS.C7H6N2.2C7H8O3S/c1-17-22(26-30-23(18-5-3-2-4-6-18)24(36-26)25-28-16-29-31-25)21-15-20(9-12-34(21)32-17)35-14-13-33-10-7-19(27)8-11-33;1-2-6-9-7(3-1)4-5-8-9;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,28,29,31);1-6H;2*2-5H,1H3,(H,8,9,10)
• InChIKey: RZHURUZWMCIDEZ-UHFFFAOYSA-N
• XLogP: 8.85
• TPSA: 210.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	966.16
LogP ≤ 5	8.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine?

The IUPAC name of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine (CID 160558787) is 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine?

The canonical SMILES for 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine is Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1nn2ccc(OCCN3CCC(F)CC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.c1ccn2nccc2c1.

What is the InChIKey of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine?

The InChIKey is RZHURUZWMCIDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7OS.C7H6N2.2C7H8O3S/c1-17-22(26-30-23(18-5-3-2-4-6-18)24(36-26)25-28-16-29-31-25)21-15-20(9-12-34(21)32-17)35-14-13-33-10-7-19(27)8-11-33;1-2-6-9-7(3-1)4-5-8-9;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-6,9,12,15-16,19H,7-8,10-11,13-14H2,1H3,(H,28,29,31);1-6H;2*2-5H,1H3,(H,8,9,10).

What are the key properties of 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine?

2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine has a molecular weight of 966.16 g/mol, XLogP of 8.85, 9 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 160558787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).