N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C12H20ClN5O2S — CID 86780661

IUPACN-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC(C)(C)CN)cc12.Cl
InChIInChI=1S/C12H19N5O2S.ClH/c1-8-10-5-9(6-14-11(10)17(4)15-8)20(18,19)16-12(2,3)7-13;/h5-6,16H,7,13H2,1-4H3;1H
InChIKeyOXEGCQYSLZNFNX-UHFFFAOYSA-N
MW333.85 g/mol
LogP0.71
Rot. Bonds4

About N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 86780661) has the molecular formula C12H20ClN5O2S and a molecular weight of 333.85 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID86780661
Molecular FormulaC12H20ClN5O2S
Molecular Weight333.85 g/mol
Exact Mass333.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NC(C)(C)CN)cc12.Cl
InChIInChI=1S/C12H19N5O2S.ClH/c1-8-10-5-9(6-14-11(10)17(4)15-8)20(18,19)16-12(2,3)7-13;/h5-6,16H,7,13H2,1-4H3;1H
InChIKeyOXEGCQYSLZNFNX-UHFFFAOYSA-N
XLogP0.71
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 86780661) is N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)NC(C)(C)CN)cc12.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is OXEGCQYSLZNFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S.ClH/c1-8-10-5-9(6-14-11(10)17(4)15-8)20(18,19)16-12(2,3)7-13;/h5-6,16H,7,13H2,1-4H3;1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 333.85 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 86780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).