N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C18H28N4O2 — CID 111446542

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C
InChIInChI=1S/C18H28N4O2/c1-7-12(4)18(6,24)10-19-17(23)15-8-14-9-20-22(11(2)3)16(14)21-13(15)5/h8-9,11-12,24H,7,10H2,1-6H3,(H,19,23)
InChIKeyUOJMCWXXHOWHLD-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.85
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 111446542) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID111446542
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C
InChIInChI=1S/C18H28N4O2/c1-7-12(4)18(6,24)10-19-17(23)15-8-14-9-20-22(11(2)3)16(14)21-13(15)5/h8-9,11-12,24H,7,10H2,1-6H3,(H,19,23)
InChIKeyUOJMCWXXHOWHLD-UHFFFAOYSA-N
XLogP2.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-ethylbutyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119639735
6-methyl-1-propan-2-yl-N-(2,4,4-trimethylpentan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55538272
6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25497145
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528856
6-methyl-1-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805236
(2S)-4-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 119361650
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118878
N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35805438

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 111446542) is N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCC(C)C(C)(O)CNC(=O)c1cc2cnn(C(C)C)c2nc1C.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is UOJMCWXXHOWHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-7-12(4)18(6,24)10-19-17(23)15-8-14-9-20-22(11(2)3)16(14)21-13(15)5/h8-9,11-12,24H,7,10H2,1-6H3,(H,19,23).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 111446542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).