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

C16H13N7O2S — CID 70689146

IUPAC4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4cccnc43)n2)cc1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)13-5-3-12(4-6-13)21-16-19-9-7-14(22-16)23-15-11(10-20-23)2-1-8-18-15/h1-10H,(H2,17,24,25)(H,19,21,22)
InChIKeyGJANQOKVASOLMC-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.60
Rot. Bonds4

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

4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (PubChem CID 70689146) has the molecular formula C16H13N7O2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
PubChem CID70689146
Molecular FormulaC16H13N7O2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4cccnc43)n2)cc1
InChIInChI=1S/C16H13N7O2S/c17-26(24,25)13-5-3-12(4-6-13)21-16-19-9-7-14(22-16)23-15-11(10-20-23)2-1-8-18-15/h1-10H,(H2,17,24,25)(H,19,21,22)
InChIKeyGJANQOKVASOLMC-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

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

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Related Compounds

DB-02197
CID 5288527
Cep-33779
CID 57336812
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
4-({5-[(4-Aminocyclohexyl)amino][1,2,4]triazolo[1,5-A]pyrimidin-7-YL}amino)benzenesulfonamide
CID 23645578
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 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide (CID 70689146) is 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2nccc(-n3ncc4cccnc43)n2)cc1.
What is the InChIKey of 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
The InChIKey is GJANQOKVASOLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7O2S/c17-26(24,25)13-5-3-12(4-6-13)21-16-19-9-7-14(22-16)23-15-11(10-20-23)2-1-8-18-15/h1-10H,(H2,17,24,25)(H,19,21,22).
What are the key properties of 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide?
4-[(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 4-[(4-pyrazolo[5,4-b]pyridin-1-ylpyrimidin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 70689146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).