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

C13H15ClN6O2S — CID 55731289

IUPAC5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H15ClN6O2S/c1-7-10-5-9(6-15-13(10)20(4)16-7)18-23(21,22)11-8(2)17-19(3)12(11)14/h5-6,18H,1-4H3
InChIKeyCDCKCJNDYBQCLV-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.77
Rot. Bonds3

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

5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 55731289) has the molecular formula C13H15ClN6O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID55731289
Molecular FormulaC13H15ClN6O2S
Molecular Weight354.82 g/mol
Exact Mass354.07
IUPAC Name5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C13H15ClN6O2S/c1-7-10-5-9(6-15-13(10)20(4)16-7)18-23(21,22)11-8(2)17-19(3)12(11)14/h5-6,18H,1-4H3
InChIKeyCDCKCJNDYBQCLV-UHFFFAOYSA-N
XLogP1.77
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide (CID 55731289) is 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is CDCKCJNDYBQCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O2S/c1-7-10-5-9(6-15-13(10)20(4)16-7)18-23(21,22)11-8(2)17-19(3)12(11)14/h5-6,18H,1-4H3.
What are the key properties of 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 354.82 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 55731289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).