4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C9H11N3O — CID 155036132

IUPAC4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCC(C)c1ccnc2[nH][nH]c(=O)c12
InChIInChI=1S/C9H11N3O/c1-5(2)6-3-4-10-8-7(6)9(13)12-11-8/h3-5H,1-2H3,(H2,10,11,12,13)
InChIKeyQEJRPZIZVZUXJY-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.37
Rot. Bonds1

About 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 155036132) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID155036132
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESCC(C)c1ccnc2[nH][nH]c(=O)c12
InChIInChI=1S/C9H11N3O/c1-5(2)6-3-4-10-8-7(6)9(13)12-11-8/h3-5H,1-2H3,(H2,10,11,12,13)
InChIKeyQEJRPZIZVZUXJY-UHFFFAOYSA-N
XLogP1.37
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 155036132) is 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is CC(C)c1ccnc2[nH][nH]c(=O)c12.
What is the InChIKey of 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is QEJRPZIZVZUXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5(2)6-3-4-10-8-7(6)9(13)12-11-8/h3-5H,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 177.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 155036132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).