2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one

C11H15N3O — CID 24827424

IUPAC2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCCCCCn1[nH]c2ncccc2c1=O
InChIInChI=1S/C11H15N3O/c1-2-3-4-8-14-11(15)9-6-5-7-12-10(9)13-14/h5-7H,2-4,8H2,1H3,(H,12,13)
InChIKeyDVOZEOXLGFATBD-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds4

About 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one

2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 24827424) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID24827424
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one
SMILESCCCCCn1[nH]c2ncccc2c1=O
InChIInChI=1S/C11H15N3O/c1-2-3-4-8-14-11(15)9-6-5-7-12-10(9)13-14/h5-7H,2-4,8H2,1H3,(H,12,13)
InChIKeyDVOZEOXLGFATBD-UHFFFAOYSA-N
XLogP1.91
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 5271647
4-(pentylamino)-1H-1,8-naphthyridin-2-one
CID 70533631
3-iodo-1-pentylpyridin-2-one
CID 79785003
3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
4-oxo-1-pentyl-1,8-naphthyridine-3-carboxylic acid
CID 23636390
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]hexan-1-one
CID 51123164
3-methyl-1H-pyrido[2,3-c]pyridazin-4-one
CID 20772222
3-butyl-4-oxo-N-quinolin-5-ylphthalazine-1-carboxamide
CID 3570049
1-methyl-5-pentylimidazo[4,5-c]quinolin-4-one
CID 11722662
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
1-butyl-2-methyl-1,8-naphthyridin-4-one
CID 150875994
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one (CID 24827424) is 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one is CCCCCn1[nH]c2ncccc2c1=O.
What is the InChIKey of 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is DVOZEOXLGFATBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-3-4-8-14-11(15)9-6-5-7-12-10(9)13-14/h5-7H,2-4,8H2,1H3,(H,12,13).
What are the key properties of 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one?
2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 24827424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).