N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C20H19N7O3S — CID 118193542

IUPACN-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)cn1
InChIInChI=1S/C20H19N7O3S/c1-27(2)18-6-5-17(12-22-18)31(29,30)16-4-3-15(21-11-16)10-24-20(28)14-7-13-9-25-26-19(13)23-8-14/h3-9,11-12H,10H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyTYNJBJHMJNPDDR-UHFFFAOYSA-N
MW437.49 g/mol
LogP1.58
Rot. Bonds6

About N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 118193542) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID118193542
Molecular FormulaC20H19N7O3S
Molecular Weight437.49 g/mol
Exact Mass437.13
IUPAC NameN-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)cn1
InChIInChI=1S/C20H19N7O3S/c1-27(2)18-6-5-17(12-22-18)31(29,30)16-4-3-15(21-11-16)10-24-20(28)14-7-13-9-25-26-19(13)23-8-14/h3-9,11-12H,10H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKeyTYNJBJHMJNPDDR-UHFFFAOYSA-N
XLogP1.58
TPSA133.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 118193542) is N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)cn1.
What is the InChIKey of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is TYNJBJHMJNPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S/c1-27(2)18-6-5-17(12-22-18)31(29,30)16-4-3-15(21-11-16)10-24-20(28)14-7-13-9-25-26-19(13)23-8-14/h3-9,11-12H,10H2,1-2H3,(H,24,28)(H,23,25,26).
What are the key properties of N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[6-(dimethylamino)-3-pyridinyl]sulfonyl]-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 118193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).