2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone

C19H18BrN5O2 — CID 133302326

IUPAC2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C19H18BrN5O2/c20-14-1-3-15(4-2-14)27-13-18(26)25-11-9-24(10-12-25)17-6-5-16-19(23-17)22-8-7-21-16/h1-8H,9-13H2
InChIKeySLVILRAMGKIABF-UHFFFAOYSA-N
MW428.29 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone

2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone (PubChem CID 133302326) has the molecular formula C19H18BrN5O2 and a molecular weight of 428.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
PubChem CID133302326
Molecular FormulaC19H18BrN5O2
Molecular Weight428.29 g/mol
Exact Mass427.06
IUPAC Name2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Br)cc1)N1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C19H18BrN5O2/c20-14-1-3-15(4-2-14)27-13-18(26)25-11-9-24(10-12-25)17-6-5-16-19(23-17)22-8-7-21-16/h1-8H,9-13H2
InChIKeySLVILRAMGKIABF-UHFFFAOYSA-N
XLogP2.51
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
2-pyridin-2-yl-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 84589531
benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
CID 133397587
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
1-[2-(4-bromophenoxy)acetyl]piperidin-4-one
CID 39451901
1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxylic acid
CID 2462231
2-(6-bromonaphthalen-2-yl)oxy-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 55733510
2-(4-bromophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 18120422
2-(4-methoxyphenoxy)-1-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122344107
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 52515429
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
(2R)-2-amino-1-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119324380

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone (CID 133302326) is 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone is O=C(COc1ccc(Br)cc1)N1CCN(c2ccc3nccnc3n2)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
The InChIKey is SLVILRAMGKIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O2/c20-14-1-3-15(4-2-14)27-13-18(26)25-11-9-24(10-12-25)17-6-5-16-19(23-17)22-8-7-21-16/h1-8H,9-13H2.
What are the key properties of 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone?
2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone has a molecular weight of 428.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 133302326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).