2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C16H20N4O4S — CID 91765492

IUPAC2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)Cc2cnc3ccccn23)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)19-15-14(11-5-7-24-16(11)15)18-13(21)8-10-9-17-12-4-2-3-6-20(10)12/h2-4,6,9,11,14-16,19H,5,7-8H2,1H3,(H,18,21)/t11-,14+,15-,16-/m1/s1
InChIKeyRWSCEUOXWFNIDZ-MSQAHXEGSA-N
MW364.43 g/mol
LogP-0.30
Rot. Bonds5

About 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91765492) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91765492
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)Cc2cnc3ccccn23)[C@H]2CCO[C@H]21
InChIInChI=1S/C16H20N4O4S/c1-25(22,23)19-15-14(11-5-7-24-16(11)15)18-13(21)8-10-9-17-12-4-2-3-6-20(10)12/h2-4,6,9,11,14-16,19H,5,7-8H2,1H3,(H,18,21)/t11-,14+,15-,16-/m1/s1
InChIKeyRWSCEUOXWFNIDZ-MSQAHXEGSA-N
XLogP-0.30
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91765492) is 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)Cc2cnc3ccccn23)[C@H]2CCO[C@H]21.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is RWSCEUOXWFNIDZ-MSQAHXEGSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-25(22,23)19-15-14(11-5-7-24-16(11)15)18-13(21)8-10-9-17-12-4-2-3-6-20(10)12/h2-4,6,9,11,14-16,19H,5,7-8H2,1H3,(H,18,21)/t11-,14+,15-,16-/m1/s1.
What are the key properties of 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 364.43 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-3-yl-N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91765492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).