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

C16H20ClN5O2S — CID 119976302

IUPACN-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCC(N)c3ccccc3)cc12.Cl
InChIInChI=1S/C16H19N5O2S.ClH/c1-11-14-8-13(9-18-16(14)21(2)20-11)24(22,23)19-10-15(17)12-6-4-3-5-7-12;/h3-9,15,19H,10,17H2,1-2H3;1H
InChIKeyDXVKKHSQWZMWEP-UHFFFAOYSA-N
MW381.89 g/mol
LogP1.68
Rot. Bonds5

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

N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 119976302) has the molecular formula C16H20ClN5O2S and a molecular weight of 381.89 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID119976302
Molecular FormulaC16H20ClN5O2S
Molecular Weight381.89 g/mol
Exact Mass381.10
IUPAC NameN-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)NCC(N)c3ccccc3)cc12.Cl
InChIInChI=1S/C16H19N5O2S.ClH/c1-11-14-8-13(9-18-16(14)21(2)20-11)24(22,23)19-10-15(17)12-6-4-3-5-7-12;/h3-9,15,19H,10,17H2,1-2H3;1H
InChIKeyDXVKKHSQWZMWEP-UHFFFAOYSA-N
XLogP1.68
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 97238560
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119960337
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 119960338
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
N-(1-amino-2-methylpropan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 86780661
1,3-dimethyl-N-(2-phenylpropyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725542
1,3-dimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120721633
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120895643
N-(3-tert-butyl-2-hydroxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 136532770
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 120895644
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-fluorobenzenesulfonamide
CID 24650300

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 119976302) is N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)NCC(N)c3ccccc3)cc12.Cl.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is DXVKKHSQWZMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S.ClH/c1-11-14-8-13(9-18-16(14)21(2)20-11)24(22,23)19-10-15(17)12-6-4-3-5-7-12;/h3-9,15,19H,10,17H2,1-2H3;1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 381.89 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119976302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).