3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C14H15BrN4O2 — CID 163235478

IUPAC3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOCCC1CNC(=O)c2c(Br)c(-c3ccncc3)nn21
InChIInChI=1S/C14H15BrN4O2/c1-21-7-4-10-8-17-14(20)13-11(15)12(18-19(10)13)9-2-5-16-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,17,20)
InChIKeyUOFNUMORBBZTTG-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.03
Rot. Bonds4

About 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 163235478) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID163235478
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCOCCC1CNC(=O)c2c(Br)c(-c3ccncc3)nn21
InChIInChI=1S/C14H15BrN4O2/c1-21-7-4-10-8-17-14(20)13-11(15)12(18-19(10)13)9-2-5-16-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,17,20)
InChIKeyUOFNUMORBBZTTG-UHFFFAOYSA-N
XLogP2.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 73018192
(7S)-7-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 118861703
3-bromo-5-(2-hydroxyethyl)-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118408004
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870
3-bromo-7-cyclopropyl-2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841736
4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477
3-bromo-2-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 126455423
methyl 7-benzyl-3-butoxy-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 126713341
(7S)-7-ethyl-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 11536428
4-bromo-1-(3-methoxypropyl)-2-methyl-5-pyridin-4-ylpyrrole-3-carboxamide
CID 91672920
3-bromo-7-(dimethoxymethyl)-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841619
[5-(3-bromo-4-oxo-2-pyridin-4-yl-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl)-4-hydroxy-2-methylpentan-2-yl]-methylsulfanium
CID 163735846

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 163235478) is 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is COCCC1CNC(=O)c2c(Br)c(-c3ccncc3)nn21.
What is the InChIKey of 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UOFNUMORBBZTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-21-7-4-10-8-17-14(20)13-11(15)12(18-19(10)13)9-2-5-16-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3,(H,17,20).
What are the key properties of 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 351.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(2-methoxyethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 163235478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).