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

C11H15N3O — CID 135600424

IUPAC1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCC(C)n1ncc2c(C)cc(=O)[nH]c21
InChIInChI=1S/C11H15N3O/c1-4-8(3)14-11-9(6-12-14)7(2)5-10(15)13-11/h5-6,8H,4H2,1-3H3,(H,13,15)
InChIKeyBLWGJZHWFQZNJY-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds2

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

1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135600424) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135600424
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCC(C)n1ncc2c(C)cc(=O)[nH]c21
InChIInChI=1S/C11H15N3O/c1-4-8(3)14-11-9(6-12-14)7(2)5-10(15)13-11/h5-6,8H,4H2,1-3H3,(H,13,15)
InChIKeyBLWGJZHWFQZNJY-UHFFFAOYSA-N
XLogP2.00
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135600424) is 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCC(C)n1ncc2c(C)cc(=O)[nH]c21.
What is the InChIKey of 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BLWGJZHWFQZNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-8(3)14-11-9(6-12-14)7(2)5-10(15)13-11/h5-6,8H,4H2,1-3H3,(H,13,15).
What are the key properties of 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 205.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135600424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).