N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

C18H24ClN5O2S — CID 120895643

IUPACN-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(CCN)CCc3ccccc3)cc12.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-14-17-12-16(13-20-18(17)22(2)21-14)26(24,25)23(11-9-19)10-8-15-6-4-3-5-7-15;/h3-7,12-13H,8-11,19H2,1-2H3;1H
InChIKeyBYBRCFVODIUOIW-UHFFFAOYSA-N
MW409.94 g/mol
LogP1.89
Rot. Bonds7

About N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride

N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (PubChem CID 120895643) has the molecular formula C18H24ClN5O2S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
PubChem CID120895643
Molecular FormulaC18H24ClN5O2S
Molecular Weight409.94 g/mol
Exact Mass409.13
IUPAC NameN-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(CCN)CCc3ccccc3)cc12.Cl
InChIInChI=1S/C18H23N5O2S.ClH/c1-14-17-12-16(13-20-18(17)22(2)21-14)26(24,25)23(11-9-19)10-8-15-6-4-3-5-7-15;/h3-7,12-13H,8-11,19H2,1-2H3;1H
InChIKeyBYBRCFVODIUOIW-UHFFFAOYSA-N
XLogP1.89
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride with MolForge

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Related Compounds

N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 120895644
N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
CID 87016623
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119960337
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120895703
N-(2-aminoethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 119960338
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-amino-2-phenylethyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 119976302
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347215
N-(2-hydroxyethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide
CID 111122114
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
CID 51103264
N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 120895810

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride (CID 120895643) is N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is Cc1nn(C)c2ncc(S(=O)(=O)N(CCN)CCc3ccccc3)cc12.Cl.
What is the InChIKey of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
The InChIKey is BYBRCFVODIUOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S.ClH/c1-14-17-12-16(13-20-18(17)22(2)21-14)26(24,25)23(11-9-19)10-8-15-6-4-3-5-7-15;/h3-7,12-13H,8-11,19H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride?
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride has a molecular weight of 409.94 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120895643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).