5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C21H23N7O4S — CID 175258833

IUPAC5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESC=CS(=O)(=O)Nc1cnc2n[nH]c(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C21H23N7O4S/c1-3-33(31,32)26-16-12-17-18(24-25-19(17)22-13-16)20(29)23-15-6-4-14(5-7-15)21(30)28-10-8-27(2)9-11-28/h3-7,12-13,26H,1,8-11H2,2H3,(H,23,29)(H,22,24,25)
InChIKeyRKARTYWLIBOVAF-UHFFFAOYSA-N
MW469.53 g/mol
LogP1.48
Rot. Bonds6

About 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 175258833) has the molecular formula C21H23N7O4S and a molecular weight of 469.53 g/mol. Its IUPAC name is 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID175258833
Molecular FormulaC21H23N7O4S
Molecular Weight469.53 g/mol
Exact Mass469.15
IUPAC Name5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESC=CS(=O)(=O)Nc1cnc2n[nH]c(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c2c1
InChIInChI=1S/C21H23N7O4S/c1-3-33(31,32)26-16-12-17-18(24-25-19(17)22-13-16)20(29)23-15-6-4-14(5-7-15)21(30)28-10-8-27(2)9-11-28/h3-7,12-13,26H,1,8-11H2,2H3,(H,23,29)(H,22,24,25)
InChIKeyRKARTYWLIBOVAF-UHFFFAOYSA-N
XLogP1.48
TPSA140.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-(prop-2-enoylamino)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 175258842
N-[3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]ethenesulfonamide
CID 168869871
5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 175258867
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94646312
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
2-chloro-5-hydroxy-N-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-5-yl]benzamide
CID 11852008

Frequently Asked Questions

What is the IUPAC name of 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 175258833) is 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is C=CS(=O)(=O)Nc1cnc2n[nH]c(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)c2c1.
What is the InChIKey of 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is RKARTYWLIBOVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4S/c1-3-33(31,32)26-16-12-17-18(24-25-19(17)22-13-16)20(29)23-15-6-4-14(5-7-15)21(30)28-10-8-27(2)9-11-28/h3-7,12-13,26H,1,8-11H2,2H3,(H,23,29)(H,22,24,25).
What are the key properties of 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 175258833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).