N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C22H22N8O4S — CID 171655826

About N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 171655826) has the molecular formula C22H22N8O4S and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 171655826
• Molecular Formula: C22H22N8O4S
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.15
• IUPAC Name: N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2nnn(C3CN(S(=O)(=O)C4COC4)C3)n2)cc1NC(=O)c1cnn2ccccc12
• InChI: InChI=1S/C22H22N8O4S/c1-14-5-6-15(8-19(14)24-22(31)18-9-23-29-7-3-2-4-20(18)29)21-25-27-30(26-21)16-10-28(11-16)35(32,33)17-12-34-13-17/h2-9,16-17H,10-13H2,1H3,(H,24,31)
• InChIKey: PEGASGCMMKLNID-UHFFFAOYSA-N
• XLogP: 1.13
• TPSA: 136.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	1.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 171655826) is N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2nnn(C3CN(S(=O)(=O)C4COC4)C3)n2)cc1NC(=O)c1cnn2ccccc12.

What is the InChIKey of N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is PEGASGCMMKLNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O4S/c1-14-5-6-15(8-19(14)24-22(31)18-9-23-29-7-3-2-4-20(18)29)21-25-27-30(26-21)16-10-28(11-16)35(32,33)17-12-34-13-17/h2-9,16-17H,10-13H2,1H3,(H,24,31).

What are the key properties of N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-[2-[1-(oxetan-3-ylsulfonyl)azetidin-3-yl]tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 171655826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).