7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

C11H14BrN3O — CID 79302916

IUPAC7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC(C)CC1Nc2ncc(Br)cc2NC1=O
InChIInChI=1S/C11H14BrN3O/c1-6(2)3-9-11(16)15-8-4-7(12)5-13-10(8)14-9/h4-6,9H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJZFPYDZNBKIUIF-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.62
Rot. Bonds2

About 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (PubChem CID 79302916) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
PubChem CID79302916
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SMILESCC(C)CC1Nc2ncc(Br)cc2NC1=O
InChIInChI=1S/C11H14BrN3O/c1-6(2)3-9-11(16)15-8-4-7(12)5-13-10(8)14-9/h4-6,9H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyJZFPYDZNBKIUIF-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290407
(3R)-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 82396244
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
3-butan-2-yl-7-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79306595
7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290502
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 103594407
(3S)-7-amino-3-(2-methylpropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 97357778
12-bromo-7-methyl-5-oxa-2,9,14-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-8-one
CID 79302273
2-(aminomethyl)-7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990587
2-(3-amino-2-methylpropyl)-7-bromo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990600
7-bromo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine-3-carbaldehyde
CID 174655146

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one (CID 79302916) is 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is CC(C)CC1Nc2ncc(Br)cc2NC1=O.
What is the InChIKey of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
The InChIKey is JZFPYDZNBKIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-6(2)3-9-11(16)15-8-4-7(12)5-13-10(8)14-9/h4-6,9H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one?
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one has a molecular weight of 284.16 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 79302916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).