8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C18H17N9O5S2 — CID 135150057

About 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 135150057) has the molecular formula C18H17N9O5S2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 135150057
• Molecular Formula: C18H17N9O5S2
• Molecular Weight: 503.53 g/mol
• Exact Mass: 503.08
• IUPAC Name: 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: NC(=O)c1cn2cccc(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1
• InChI: InChI=1S/C18H17N9O5S2/c19-16(28)12-8-27-5-1-2-11(18(27)22-12)10-3-4-13(33(29,30)9-6-21-7-9)15(34(20,31)32)14(10)17-23-25-26-24-17/h1-5,8-9,21H,6-7H2,(H2,19,28)(H2,20,31,32)(H,23,24,25,26)
• InChIKey: BFCDFLCBRPFVRW-UHFFFAOYSA-N
• XLogP: -1.33
• TPSA: 221.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.53
LogP ≤ 5	-1.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 135150057) is 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is NC(=O)c1cn2cccc(-c3ccc(S(=O)(=O)C4CNC4)c(S(N)(=O)=O)c3-c3nn[nH]n3)c2n1.

What is the InChIKey of 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is BFCDFLCBRPFVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N9O5S2/c19-16(28)12-8-27-5-1-2-11(18(27)22-12)10-3-4-13(33(29,30)9-6-21-7-9)15(34(20,31)32)14(10)17-23-25-26-24-17/h1-5,8-9,21H,6-7H2,(H2,19,28)(H2,20,31,32)(H,23,24,25,26).

What are the key properties of 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?

8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 503.53 g/mol, XLogP of -1.33, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(azetidin-3-ylsulfonyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 135150057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).