1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C15H22N4O — CID 46597159

IUPAC1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCC(C)NC(=O)c1cc2c(C)nn(C)c2nc1C
InChIInChI=1S/C15H22N4O/c1-6-7-9(2)16-15(20)13-8-12-11(4)18-19(5)14(12)17-10(13)3/h8-9H,6-7H2,1-5H3,(H,16,20)
InChIKeyXTUOCYGRRSPGIX-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.50
Rot. Bonds4

About 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 46597159) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID46597159
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCC(C)NC(=O)c1cc2c(C)nn(C)c2nc1C
InChIInChI=1S/C15H22N4O/c1-6-7-9(2)16-15(20)13-8-12-11(4)18-19(5)14(12)17-10(13)3/h8-9H,6-7H2,1-5H3,(H,16,20)
InChIKeyXTUOCYGRRSPGIX-UHFFFAOYSA-N
XLogP2.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
N-hexyl-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 37031751
(2S)-3-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 119366419
1,3,6-trimethyl-N-pyridin-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 36998675
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
N-[2-(benzylamino)-2-oxoethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 46446216
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42959831
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 94184797
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
1,3,6-trimethyl-N-[(1-phenylcyclopropyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 37025261
2-phenyl-2-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 167936768
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 46597159) is 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCCC(C)NC(=O)c1cc2c(C)nn(C)c2nc1C.
What is the InChIKey of 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is XTUOCYGRRSPGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-6-7-9(2)16-15(20)13-8-12-11(4)18-19(5)14(12)17-10(13)3/h8-9H,6-7H2,1-5H3,(H,16,20).
What are the key properties of 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-pentan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 46597159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).