4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one

C11H15N3O — CID 135600423

IUPAC4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2CC(C)C
InChIInChI=1S/C11H15N3O/c1-7(2)6-14-11-9(5-12-14)8(3)4-10(15)13-11/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeyKOYQVHXLLWYDOE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.69
Rot. Bonds2

About 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one

4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135600423) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135600423
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2c1cnn2CC(C)C
InChIInChI=1S/C11H15N3O/c1-7(2)6-14-11-9(5-12-14)8(3)4-10(15)13-11/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKeyKOYQVHXLLWYDOE-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US10118930, Example 449
CID 137018714
2,4-dimethyl-2H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135428373
4-methyl-1-(propan-2-yl)-1H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135600421
1-(butan-2-yl)-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600424
1-cyclopentyl-4-methyl-1H,6H,7H-pyrazolo(3,4-b)pyridin-6-one
CID 135600425
1-cyclohexyl-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135584534
1-[(1S)-1-cyclopropylethyl]-4-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135903354
2-methyl-4-(trifluoromethyl)-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135646630
1-ethyl-1,7-dihydro-4-(trifluoromethyl)-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135783976
1-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one
CID 136414195
4-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-6-one
CID 136595249
3-[3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 155111053

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135600423) is 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)[nH]c2c1cnn2CC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is KOYQVHXLLWYDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)6-14-11-9(5-12-14)8(3)4-10(15)13-11/h4-5,7H,6H2,1-3H3,(H,13,15).
What are the key properties of 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one?
4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 205.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135600423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).