N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

C14H17N5O4S — CID 91792598

IUPACN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccn3cnnc3c2)[C@H]2CCO[C@H]21
InChIInChI=1S/C14H17N5O4S/c1-24(21,22)18-12-11(9-3-5-23-13(9)12)16-14(20)8-2-4-19-7-15-17-10(19)6-8/h2,4,6-7,9,11-13,18H,3,5H2,1H3,(H,16,20)/t9-,11+,12-,13-/m1/s1
InChIKeyLVQACVMHDOBGSY-GWNIPJSYSA-N
MW351.39 g/mol
LogP-0.84
Rot. Bonds4

About N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide

N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (PubChem CID 91792598) has the molecular formula C14H17N5O4S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
PubChem CID91792598
Molecular FormulaC14H17N5O4S
Molecular Weight351.39 g/mol
Exact Mass351.10
IUPAC NameN-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
SMILESCS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccn3cnnc3c2)[C@H]2CCO[C@H]21
InChIInChI=1S/C14H17N5O4S/c1-24(21,22)18-12-11(9-3-5-23-13(9)12)16-14(20)8-2-4-19-7-15-17-10(19)6-8/h2,4,6-7,9,11-13,18H,3,5H2,1H3,(H,16,20)/t9-,11+,12-,13-/m1/s1
InChIKeyLVQACVMHDOBGSY-GWNIPJSYSA-N
XLogP-0.84
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The IUPAC name of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide (CID 91792598) is N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The canonical SMILES for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)c2ccn3cnnc3c2)[C@H]2CCO[C@H]21.
What is the InChIKey of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
The InChIKey is LVQACVMHDOBGSY-GWNIPJSYSA-N. The full InChI is InChI=1S/C14H17N5O4S/c1-24(21,22)18-12-11(9-3-5-23-13(9)12)16-14(20)8-2-4-19-7-15-17-10(19)6-8/h2,4,6-7,9,11-13,18H,3,5H2,1H3,(H,16,20)/t9-,11+,12-,13-/m1/s1.
What are the key properties of N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide?
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide has a molecular weight of 351.39 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide is sourced from PubChem (CID 91792598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).