5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide

C13H12ClN5O2S — CID 71908720

IUPAC5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3cncc(Cl)c3)cc12
InChIInChI=1S/C13H12ClN5O2S/c1-8-12-4-10(6-16-13(12)19(2)17-8)18-22(20,21)11-3-9(14)5-15-7-11/h3-7,18H,1-2H3
InChIKeyKEVSHZRGAIPACS-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.13
Rot. Bonds3

About 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide

5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide (PubChem CID 71908720) has the molecular formula C13H12ClN5O2S and a molecular weight of 337.79 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide
PubChem CID71908720
Molecular FormulaC13H12ClN5O2S
Molecular Weight337.79 g/mol
Exact Mass337.04
IUPAC Name5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c2ncc(NS(=O)(=O)c3cncc(Cl)c3)cc12
InChIInChI=1S/C13H12ClN5O2S/c1-8-12-4-10(6-16-13(12)19(2)17-8)18-22(20,21)11-3-9(14)5-15-7-11/h3-7,18H,1-2H3
InChIKeyKEVSHZRGAIPACS-UHFFFAOYSA-N
XLogP2.13
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide (CID 71908720) is 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide is Cc1nn(C)c2ncc(NS(=O)(=O)c3cncc(Cl)c3)cc12.
What is the InChIKey of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide?
The InChIKey is KEVSHZRGAIPACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O2S/c1-8-12-4-10(6-16-13(12)19(2)17-8)18-22(20,21)11-3-9(14)5-15-7-11/h3-7,18H,1-2H3.
What are the key properties of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide?
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide has a molecular weight of 337.79 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 71908720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).