(3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid

C15H17N3O5S — CID 137345247

IUPAC(3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
SMILESO=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C15H17N3O5S/c19-14(20)15-4-6-23-9-11(15)8-17(10-15)24(21,22)13-7-16-12-3-1-2-5-18(12)13/h1-3,5,7,11H,4,6,8-10H2,(H,19,20)/t11-,15+/m1/s1
InChIKeyJKRNYCVOYFSISS-ABAIWWIYSA-N
MW351.38 g/mol
LogP0.45
Rot. Bonds3

About (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid

(3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid (PubChem CID 137345247) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid.

Molecular Properties

Compound Name(3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
PubChem CID137345247
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name(3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
SMILESO=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2
InChIInChI=1S/C15H17N3O5S/c19-14(20)15-4-6-23-9-11(15)8-17(10-15)24(21,22)13-7-16-12-3-1-2-5-18(12)13/h1-3,5,7,11H,4,6,8-10H2,(H,19,20)/t11-,15+/m1/s1
InChIKeyJKRNYCVOYFSISS-ABAIWWIYSA-N
XLogP0.45
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid with MolForge

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Related Compounds

(3aS,7aS)-2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628510
3-(4-pyridin-4-ylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridine
CID 166271807
(3aS,7aS)-2-(2-bromobenzoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627937
(3aS,7aS)-2-(pyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628092
(3aR,7aR)-2-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137345742
2-imidazo[1,2-a]pyridin-3-ylsulfonyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 138386250
(3aR,7aR)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137338545
(3aS,7aS)-2-(1-benzylpiperidine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627369
(3aR,7aR)-2-(3-phenoxypropanoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340689
(3aR,7aR)-2-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137337034
(3aS,7aS)-2-(4-phenylmethoxybutanoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628768
(3aR,7aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340328

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid?
The IUPAC name of (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid (CID 137345247) is (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid.
What is the SMILES notation for (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid?
The canonical SMILES for (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid is O=C(O)[C@]12CCOC[C@H]1CN(S(=O)(=O)c1cnc3ccccn13)C2.
What is the InChIKey of (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid?
The InChIKey is JKRNYCVOYFSISS-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c19-14(20)15-4-6-23-9-11(15)8-17(10-15)24(21,22)13-7-16-12-3-1-2-5-18(12)13/h1-3,5,7,11H,4,6,8-10H2,(H,19,20)/t11-,15+/m1/s1.
What are the key properties of (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid?
(3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid has a molecular weight of 351.38 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2-imidazo[1,2-a]pyridin-3-ylsulfonyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid is sourced from PubChem (CID 137345247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).