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

C12H14FN3O2 — CID 171480437

IUPAC3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCn1c(=O)ccc2nn(C3CCCCO3)c(F)c21
InChIInChI=1S/C12H14FN3O2/c1-15-9(17)6-5-8-11(15)12(13)16(14-8)10-4-2-3-7-18-10/h5-6,10H,2-4,7H2,1H3
InChIKeyIAYJUHONNNNFKU-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.57
Rot. Bonds1

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

3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (PubChem CID 171480437) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
PubChem CID171480437
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC Name3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one
SMILESCn1c(=O)ccc2nn(C3CCCCO3)c(F)c21
InChIInChI=1S/C12H14FN3O2/c1-15-9(17)6-5-8-11(15)12(13)16(14-8)10-4-2-3-7-18-10/h5-6,10H,2-4,7H2,1H3
InChIKeyIAYJUHONNNNFKU-UHFFFAOYSA-N
XLogP1.57
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The IUPAC name of 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one (CID 171480437) is 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one.
What is the SMILES notation for 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The canonical SMILES for 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is Cn1c(=O)ccc2nn(C3CCCCO3)c(F)c21.
What is the InChIKey of 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
The InChIKey is IAYJUHONNNNFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-15-9(17)6-5-8-11(15)12(13)16(14-8)10-4-2-3-7-18-10/h5-6,10H,2-4,7H2,1H3.
What are the key properties of 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one?
3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one has a molecular weight of 251.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-2-(oxan-2-yl)pyrazolo[4,3-b]pyridin-5-one is sourced from PubChem (CID 171480437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).