7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine

C15H16BrN3O — CID 53214107

IUPAC7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
SMILESCOc1cccc(CN2CCNc3cc(Br)cnc32)c1
InChIInChI=1S/C15H16BrN3O/c1-20-13-4-2-3-11(7-13)10-19-6-5-17-14-8-12(16)9-18-15(14)19/h2-4,7-9,17H,5-6,10H2,1H3
InChIKeyVIFZRVYPFWFGHE-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.28
Rot. Bonds3

About 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine

7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine (PubChem CID 53214107) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
PubChem CID53214107
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
SMILESCOc1cccc(CN2CCNc3cc(Br)cnc32)c1
InChIInChI=1S/C15H16BrN3O/c1-20-13-4-2-3-11(7-13)10-19-6-5-17-14-8-12(16)9-18-15(14)19/h2-4,7-9,17H,5-6,10H2,1H3
InChIKeyVIFZRVYPFWFGHE-UHFFFAOYSA-N
XLogP3.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-b]pyrazole
CID 166379351
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
1-[(3-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 63100409
5-bromo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328758
2,8,9-tris[(3-methoxyphenyl)methyl]-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane
CID 102225818
4-(5-bromo-4-methoxypyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 166601593
methanol;3-[(3-methoxyphenyl)methyl]-7-(2-methylpyrazol-3-yl)-1,2-dihydroquinazolin-4-one
CID 164572325
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
2-[(3-methoxyphenyl)methyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione
CID 80725758
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
The IUPAC name of 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine (CID 53214107) is 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
The canonical SMILES for 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine is COc1cccc(CN2CCNc3cc(Br)cnc32)c1.
What is the InChIKey of 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
The InChIKey is VIFZRVYPFWFGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-20-13-4-2-3-11(7-13)10-19-6-5-17-14-8-12(16)9-18-15(14)19/h2-4,7-9,17H,5-6,10H2,1H3.
What are the key properties of 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine?
7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine has a molecular weight of 334.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[(3-methoxyphenyl)methyl]-2,3-dihydro-1H-pyrido[2,3-b]pyrazine is sourced from PubChem (CID 53214107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).