5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one

C13H13BrN4O2 — CID 154738238

IUPAC5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C13H13BrN4O2/c14-10-1-2-12(19)18(7-10)8-13(20)17-4-3-11-9(6-17)5-15-16-11/h1-2,5,7H,3-4,6,8H2,(H,15,16)
InChIKeyOZXNLZAZIIZOED-UHFFFAOYSA-N
MW337.18 g/mol
LogP0.92
Rot. Bonds2

About 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one

5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one (PubChem CID 154738238) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one
PubChem CID154738238
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C13H13BrN4O2/c14-10-1-2-12(19)18(7-10)8-13(20)17-4-3-11-9(6-17)5-15-16-11/h1-2,5,7H,3-4,6,8H2,(H,15,16)
InChIKeyOZXNLZAZIIZOED-UHFFFAOYSA-N
XLogP0.92
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]benzimidazol-2-one
CID 86859714
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-bromopyridin-2-one
CID 37317226
2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one
CID 70758898
8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86859766
2-(5-methylthiophen-2-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 86859600
1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 86859832
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
CID 75377385
[4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-bicyclo[2.2.2]octanyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 166234515
1-[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63030591
5-bromo-1-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 103727186
4-(1,3-benzothiazol-2-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 86859573
5-bromo-1-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridin-2-one
CID 94155096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one (CID 154738238) is 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one?
The InChIKey is OZXNLZAZIIZOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-10-1-2-12(19)18(7-10)8-13(20)17-4-3-11-9(6-17)5-15-16-11/h1-2,5,7H,3-4,6,8H2,(H,15,16).
What are the key properties of 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one?
5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one has a molecular weight of 337.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 154738238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).