1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone

C20H23N5O — CID 141340885

IUPAC1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3cnc4[nH]ccc4n3)c2)CC1(C)C
InChIInChI=1S/C20H23N5O/c1-14(26)25-10-9-24(13-20(25,2)3)16-6-4-5-15(11-16)18-12-22-19-17(23-18)7-8-21-19/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)
InChIKeyPARVENCYYHKFBU-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.07
Rot. Bonds2

About 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone

1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 141340885) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID141340885
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3cnc4[nH]ccc4n3)c2)CC1(C)C
InChIInChI=1S/C20H23N5O/c1-14(26)25-10-9-24(13-20(25,2)3)16-6-4-5-15(11-16)18-12-22-19-17(23-18)7-8-21-19/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22)
InChIKeyPARVENCYYHKFBU-UHFFFAOYSA-N
XLogP3.07
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[3-(3-methoxyazetidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 141340819
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 143853768
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
2-[3-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 141340828
carbamoyl 1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-3-methylpyrrolidine-3-carboxylate
CID 90732484
2-(4-methylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 150329888
2-(6-methyl-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 141293376
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
2-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-5H-pyrrolo[2,3-b]pyrazine
CID 141293375
3,3-dimethyl-4-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]butan-2-one
CID 68626844
1-[2-[3-(2,2-dioxo-2λ6-thia-7-azaspiro[4.4]nonan-7-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540745
1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 141369111

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone (CID 141340885) is 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(-c3cnc4[nH]ccc4n3)c2)CC1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is PARVENCYYHKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14(26)25-10-9-24(13-20(25,2)3)16-6-4-5-15(11-16)18-12-22-19-17(23-18)7-8-21-19/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,22).
What are the key properties of 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone?
1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-4-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 141340885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).