N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide

C15H25N5O2S — CID 99858952

IUPACN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide
SMILESCC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1cnc2c(cnn2C)c1
InChIInChI=1S/C15H25N5O2S/c1-11(2)6-13(10-19(3)4)18-23(21,22)14-7-12-8-17-20(5)15(12)16-9-14/h7-9,11,13,18H,6,10H2,1-5H3/t13-/m0/s1
InChIKeyWKOWGJLQJMOUPG-ZDUSSCGKSA-N
MW339.47 g/mol
LogP1.22
Rot. Bonds7

About N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide

N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide (PubChem CID 99858952) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide
PubChem CID99858952
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC NameN-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide
SMILESCC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1cnc2c(cnn2C)c1
InChIInChI=1S/C15H25N5O2S/c1-11(2)6-13(10-19(3)4)18-23(21,22)14-7-12-8-17-20(5)15(12)16-9-14/h7-9,11,13,18H,6,10H2,1-5H3/t13-/m0/s1
InChIKeyWKOWGJLQJMOUPG-ZDUSSCGKSA-N
XLogP1.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide (CID 99858952) is N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide is CC(C)C[C@@H](CN(C)C)NS(=O)(=O)c1cnc2c(cnn2C)c1.
What is the InChIKey of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide?
The InChIKey is WKOWGJLQJMOUPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-11(2)6-13(10-19(3)4)18-23(21,22)14-7-12-8-17-20(5)15(12)16-9-14/h7-9,11,13,18H,6,10H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide?
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-1-methylpyrazolo[3,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 99858952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).