7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

C18H13N5O — CID 15476466

IUPAC7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCC(=O)c1c(C)n(Cc2ccccc2)c2nc(C#N)c(C#N)nc12
InChIInChI=1S/C18H13N5O/c1-11-16(12(2)24)17-18(22-15(9-20)14(8-19)21-17)23(11)10-13-6-4-3-5-7-13/h3-7H,10H2,1-2H3
InChIKeyPQNLEBOTMJNBFY-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.73
Rot. Bonds3

About 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (PubChem CID 15476466) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
PubChem CID15476466
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCC(=O)c1c(C)n(Cc2ccccc2)c2nc(C#N)c(C#N)nc12
InChIInChI=1S/C18H13N5O/c1-11-16(12(2)24)17-18(22-15(9-20)14(8-19)21-17)23(11)10-13-6-4-3-5-7-13/h3-7H,10H2,1-2H3
InChIKeyPQNLEBOTMJNBFY-UHFFFAOYSA-N
XLogP2.73
TPSA95.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 15476474
5-benzyl-7-[(Z)-2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]-1-hydroxyethenyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 136815283
4-[(3-acetyl-2-methylindol-1-yl)methyl]benzonitrile
CID 143390976
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477
1-(1-benzyl-6-methyl-4-pyrrolidin-1-yl-2-sulfanylidenepyrimidin-5-yl)ethanone
CID 839885
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
1-(1-benzyl-5-propan-2-ylpyrrol-2-yl)ethanone
CID 158790319
ethyl 4-amino-1-benzyl-2,3,6-trimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 13012187
1-(7-benzyl-2,4-dichloropyrrolo[2,3-d]pyrimidin-6-yl)ethanone
CID 146171822
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
methyl 3-amino-1-benzyl-4-cyano-5-methylpyrrole-2-carboxylate
CID 5347047
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CID 15476466) is 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is CC(=O)c1c(C)n(Cc2ccccc2)c2nc(C#N)c(C#N)nc12.
What is the InChIKey of 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is PQNLEBOTMJNBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c1-11-16(12(2)24)17-18(22-15(9-20)14(8-19)21-17)23(11)10-13-6-4-3-5-7-13/h3-7H,10H2,1-2H3.
What are the key properties of 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 315.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 15476466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).