5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid

C13H10ClN5O4S — CID 167974342

IUPAC5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
SMILESO=C(O)C1c2cn[nH]c2CN1S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H10ClN5O4S/c14-11-12(18-4-2-1-3-9(18)16-11)24(22,23)19-6-8-7(5-15-17-8)10(19)13(20)21/h1-5,10H,6H2,(H,15,17)(H,20,21)
InChIKeyKFGQCJYRUYWALX-UHFFFAOYSA-N
MW367.77 g/mol
LogP1.04
Rot. Bonds3

About 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid

5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid (PubChem CID 167974342) has the molecular formula C13H10ClN5O4S and a molecular weight of 367.77 g/mol. Its IUPAC name is 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
PubChem CID167974342
Molecular FormulaC13H10ClN5O4S
Molecular Weight367.77 g/mol
Exact Mass367.01
IUPAC Name5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
SMILESO=C(O)C1c2cn[nH]c2CN1S(=O)(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C13H10ClN5O4S/c14-11-12(18-4-2-1-3-9(18)16-11)24(22,23)19-6-8-7(5-15-17-8)10(19)13(20)21/h1-5,10H,6H2,(H,15,17)(H,20,21)
InChIKeyKFGQCJYRUYWALX-UHFFFAOYSA-N
XLogP1.04
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid (CID 167974342) is 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid is O=C(O)C1c2cn[nH]c2CN1S(=O)(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
The InChIKey is KFGQCJYRUYWALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O4S/c14-11-12(18-4-2-1-3-9(18)16-11)24(22,23)19-6-8-7(5-15-17-8)10(19)13(20)21/h1-5,10H,6H2,(H,15,17)(H,20,21).
What are the key properties of 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid?
5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid has a molecular weight of 367.77 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid is sourced from PubChem (CID 167974342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).