1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

C14H21N3O — CID 145089503

IUPAC1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCCC(C)n1ncc2c(C)cc(=O)[nH]c21
InChIInChI=1S/C14H21N3O/c1-4-5-6-7-11(3)17-14-12(9-15-17)10(2)8-13(18)16-14/h8-9,11H,4-7H2,1-3H3,(H,16,18)
InChIKeyKOXPRGMKWMIUQX-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.17
Rot. Bonds5

About 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one

1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 145089503) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID145089503
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCCCCC(C)n1ncc2c(C)cc(=O)[nH]c21
InChIInChI=1S/C14H21N3O/c1-4-5-6-7-11(3)17-14-12(9-15-17)10(2)8-13(18)16-14/h8-9,11H,4-7H2,1-3H3,(H,16,18)
InChIKeyKOXPRGMKWMIUQX-UHFFFAOYSA-N
XLogP3.17
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135600424
1-hexan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350810
1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
2-octan-2-ylpyrazol-3-amine
CID 43130133
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
3-heptan-2-yl-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293045
6-methyl-3-octan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293265
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine
CID 139448072
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
3-methyl-1-octan-2-ylpyrrole-2,5-dione
CID 60976981

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 145089503) is 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCCCCC(C)n1ncc2c(C)cc(=O)[nH]c21.
What is the InChIKey of 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KOXPRGMKWMIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-5-6-7-11(3)17-14-12(9-15-17)10(2)8-13(18)16-14/h8-9,11H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 247.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 145089503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).