5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C15H20N6O3S — CID 175258844

IUPAC5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESC=CS(=O)(=O)Nc1cnc2n[nH]c(C(=O)NC3CCN(C)CC3)c2c1
InChIInChI=1S/C15H20N6O3S/c1-3-25(23,24)20-11-8-12-13(18-19-14(12)16-9-11)15(22)17-10-4-6-21(2)7-5-10/h3,8-10,20H,1,4-7H2,2H3,(H,17,22)(H,16,18,19)
InChIKeyURBZWJNGUPKGMZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.67
Rot. Bonds5

About 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 175258844) has the molecular formula C15H20N6O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID175258844
Molecular FormulaC15H20N6O3S
Molecular Weight364.43 g/mol
Exact Mass364.13
IUPAC Name5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESC=CS(=O)(=O)Nc1cnc2n[nH]c(C(=O)NC3CCN(C)CC3)c2c1
InChIInChI=1S/C15H20N6O3S/c1-3-25(23,24)20-11-8-12-13(18-19-14(12)16-9-11)15(22)17-10-4-6-21(2)7-5-10/h3,8-10,20H,1,4-7H2,2H3,(H,17,22)(H,16,18,19)
InChIKeyURBZWJNGUPKGMZ-UHFFFAOYSA-N
XLogP0.67
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 170781528
5-(ethenylsulfonylamino)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 175258833
N-[3-[6-(4-methylpiperazine-1-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]ethenesulfonamide
CID 168869871
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-(prop-2-enoylamino)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 175258842
5-ethenyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 155919871
N-(1-methylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 67184534
N-(1-methylpiperidin-4-yl)-1H-indazole-6-carboxamide
CID 62905083
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272
3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19511053
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018

Frequently Asked Questions

What is the IUPAC name of 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 175258844) is 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is C=CS(=O)(=O)Nc1cnc2n[nH]c(C(=O)NC3CCN(C)CC3)c2c1.
What is the InChIKey of 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is URBZWJNGUPKGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3S/c1-3-25(23,24)20-11-8-12-13(18-19-14(12)16-9-11)15(22)17-10-4-6-21(2)7-5-10/h3,8-10,20H,1,4-7H2,2H3,(H,17,22)(H,16,18,19).
What are the key properties of 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethenylsulfonylamino)-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 175258844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).