3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

C16H13N7O2S — CID 70695452

IUPAC3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4cccnc43)n2)c1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)13-5-1-4-12(9-13)21-16-19-8-6-14(22-16)23-15-11(10-20-23)3-2-7-18-15/h1-10H,(H2,17,24,25)(H,19,21,22)
InChIKeyXYANPBCCAYWTSS-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.60
Rot. Bonds4

About 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide

3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 70695452) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID70695452
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4cccnc43)n2)c1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)13-5-1-4-12(9-13)21-16-19-8-6-14(22-16)23-15-11(10-20-23)3-2-7-18-15/h1-10H,(H2,17,24,25)(H,19,21,22)
InChIKeyXYANPBCCAYWTSS-UHFFFAOYSA-N
XLogP1.60
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pazopanib
CID 10113978
Pazopanib Hydrochloride
CID 11525740
3-({4-[methyl(3-methyl-1H-indazol-6-yl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 21956341
4-[5-(trans-4-Aminocyclohexylamino)-3-isopropylpyrazolo[1,5-A]pyrimidin-7-ylamino]-N,N-dimethylbenzenesulfonamide
CID 5287990
4-((5-(Cyclohexylamino)(1,2,4)triazolo(1,5-A)pyrimidin-7-YL)amino)benzenesulfonamide
CID 23586146
Benzenesulfonamide, 5-((4-((2,3-dimethyl-2H-indazol-6-yl)amino)-2-pyrimidinyl)amino)-2-methyl-
CID 68319455
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
Imidazo[1,2-b]pyridazine deriv. 2c
CID 6539039
4-({5-[(4-aminocyclohexyl)amino]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl}amino)-N,N-dimethylbenzene-1-sulfonamide
CID 9825189
3-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10180652

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 70695452) is 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4cccnc43)n2)c1.
What is the InChIKey of 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is XYANPBCCAYWTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c17-26(24,25)13-5-1-4-12(9-13)21-16-19-8-6-14(22-16)23-15-11(10-20-23)3-2-7-18-15/h1-10H,(H2,17,24,25)(H,19,21,22).
What are the key properties of 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide has a molecular weight of 367.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 70695452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).