N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C23H24F2N8O4S — CID 171655718

About N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655718) has the molecular formula C23H24F2N8O4S and a molecular weight of 546.56 g/mol. Its IUPAC name is N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 171655718
• Molecular Formula: C23H24F2N8O4S
• Molecular Weight: 546.56 g/mol
• Exact Mass: 546.16
• IUPAC Name: N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2nnn(C3CN(S(=O)(=O)CCOCC(F)F)C3)n2)cc1NC(=O)c1cnn2ccccc12
• InChI: InChI=1S/C23H24F2N8O4S/c1-15-5-6-16(10-19(15)27-23(34)18-11-26-32-7-3-2-4-20(18)32)22-28-30-33(29-22)17-12-31(13-17)38(35,36)9-8-37-14-21(24)25/h2-7,10-11,17,21H,8-9,12-14H2,1H3,(H,27,34)
• InChIKey: NYQYCVBEFNRWQG-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 136.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.56
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655718) is N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(C3CN(S(=O)(=O)CCOCC(F)F)C3)n2)cc1NC(=O)c1cnn2ccccc12.

What is the InChIKey of N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is NYQYCVBEFNRWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O4S/c1-15-5-6-16(10-19(15)27-23(34)18-11-26-32-7-3-2-4-20(18)32)22-28-30-33(29-22)17-12-31(13-17)38(35,36)9-8-37-14-21(24)25/h2-7,10-11,17,21H,8-9,12-14H2,1H3,(H,27,34).

What are the key properties of N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 546.56 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[1-[2-(2,2-difluoroethoxy)ethylsulfonyl]azetidin-3-yl]tetrazol-5-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).