1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C11H13N3O2 — CID 136617825

IUPAC1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)C(=O)c1c[nH]c2c(cnn2C)c1=O
InChIInChI=1S/C11H13N3O2/c1-6(2)9(15)7-4-12-11-8(10(7)16)5-13-14(11)3/h4-6H,1-3H3,(H,12,16)
InChIKeyIHSNVKGRBVBQCV-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.10
Rot. Bonds2

About 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one

1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 136617825) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID136617825
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)C(=O)c1c[nH]c2c(cnn2C)c1=O
InChIInChI=1S/C11H13N3O2/c1-6(2)9(15)7-4-12-11-8(10(7)16)5-13-14(11)3/h4-6H,1-3H3,(H,12,16)
InChIKeyIHSNVKGRBVBQCV-UHFFFAOYSA-N
XLogP1.10
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 136617825) is 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one is CC(C)C(=O)c1c[nH]c2c(cnn2C)c1=O.
What is the InChIKey of 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is IHSNVKGRBVBQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6(2)9(15)7-4-12-11-8(10(7)16)5-13-14(11)3/h4-6H,1-3H3,(H,12,16).
What are the key properties of 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropanoyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 136617825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).