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

C10H13N3O — CID 136923411

IUPAC1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)Cn1ncc2c(=O)cc[nH]c21
InChIInChI=1S/C10H13N3O/c1-7(2)6-13-10-8(5-12-13)9(14)3-4-11-10/h3-5,7H,6H2,1-2H3,(H,11,14)
InChIKeySANHKWDPRGCYMP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.38
Rot. Bonds2

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

1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 136923411) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID136923411
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCC(C)Cn1ncc2c(=O)cc[nH]c21
InChIInChI=1S/C10H13N3O/c1-7(2)6-13-10-8(5-12-13)9(14)3-4-11-10/h3-5,7H,6H2,1-2H3,(H,11,14)
InChIKeySANHKWDPRGCYMP-UHFFFAOYSA-N
XLogP1.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 136923411) is 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one is CC(C)Cn1ncc2c(=O)cc[nH]c21.
What is the InChIKey of 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is SANHKWDPRGCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(2)6-13-10-8(5-12-13)9(14)3-4-11-10/h3-5,7H,6H2,1-2H3,(H,11,14).
What are the key properties of 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 191.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 136923411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).