1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

C21H24N4O3S — CID 86956967

IUPAC1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3cccc(CS(=O)C4CCOCC4)c3)cc12
InChIInChI=1S/C21H24N4O3S/c1-14-19-11-16(12-22-20(19)25(2)24-14)21(26)23-17-5-3-4-15(10-17)13-29(27)18-6-8-28-9-7-18/h3-5,10-12,18H,6-9,13H2,1-2H3,(H,23,26)
InChIKeyIZKDNWWDFIZTOU-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.96
Rot. Bonds5

About 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86956967) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86956967
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(C)c2ncc(C(=O)Nc3cccc(CS(=O)C4CCOCC4)c3)cc12
InChIInChI=1S/C21H24N4O3S/c1-14-19-11-16(12-22-20(19)25(2)24-14)21(26)23-17-5-3-4-15(10-17)13-29(27)18-6-8-28-9-7-18/h3-5,10-12,18H,6-9,13H2,1-2H3,(H,23,26)
InChIKeyIZKDNWWDFIZTOU-UHFFFAOYSA-N
XLogP2.96
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31344415
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
3-bromo-5-fluoro-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 86956894
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39997561
N-[3-[(3-cyanophenyl)methoxy]phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 39500397
N-[4-(2-hydroxyethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 110902184
1-benzyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]triazole-4-carboxamide
CID 86956725
N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86956720
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 146148796
5-fluoro-3-methyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 86956771

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide (CID 86956967) is 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3cccc(CS(=O)C4CCOCC4)c3)cc12.
What is the InChIKey of 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is IZKDNWWDFIZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-19-11-16(12-22-20(19)25(2)24-14)21(26)23-17-5-3-4-15(10-17)13-29(27)18-6-8-28-9-7-18/h3-5,10-12,18H,6-9,13H2,1-2H3,(H,23,26).
What are the key properties of 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86956967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).