4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

C12H15N3O2 — CID 171480047

IUPAC4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCn1c(=O)ccc2nn(C3CCCCO3)cc21
InChIInChI=1S/C12H15N3O2/c1-14-10-8-15(12-4-2-3-7-17-12)13-9(10)5-6-11(14)16/h5-6,8,12H,2-4,7H2,1H3
InChIKeySAAZDZVCUINSRY-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.43
Rot. Bonds1

About 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one

4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171480047) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID171480047
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCn1c(=O)ccc2nn(C3CCCCO3)cc21
InChIInChI=1S/C12H15N3O2/c1-14-10-8-15(12-4-2-3-7-17-12)13-9(10)5-6-11(14)16/h5-6,8,12H,2-4,7H2,1H3
InChIKeySAAZDZVCUINSRY-UHFFFAOYSA-N
XLogP1.43
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2R,5R)-2-(difluoromethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480233
3-Fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480437
7-Hydroxy-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 162421514
3-iodo-1-(oxan-2-yl)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 165127282
3-methyl-1-(oxan-2-yl)-4H-pyrazolo[4,5-b]pyridin-5-one
CID 166835778
7-[(2S,5R)-2,5-diethylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479917
7-[(2S,5R)-2-(2-methoxyethyl)-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171479919
4-Ethyl-7-hydroxy-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480062
7-[(2S,5R)-2-ethyl-5-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480118
2-[(2S,5R)-5-methyl-1-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazin-2-yl]acetonitrile
CID 171480142
3-methyl-2-(oxan-2-yl)-4H-pyrazolo[4,3-b]pyridin-5-one
CID 171480143
7-[(2S,5R)-5-ethyl-2-methylpiperazin-1-yl]-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
CID 171480157

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171480047) is 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is Cn1c(=O)ccc2nn(C3CCCCO3)cc21.
What is the InChIKey of 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is SAAZDZVCUINSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14-10-8-15(12-4-2-3-7-17-12)13-9(10)5-6-11(14)16/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 233.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171480047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).