5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

C31H20N10O — CID 15476474

IUPAC5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCc1c(C(=O)Cc2nc(C#N)c(C#N)nc2NCc2ccccc2)c2nc(C#N)c(C#N)nc2n1Cc1ccccc1
InChIInChI=1S/C31H20N10O/c1-19-28(29-31(40-26(16-35)24(14-33)38-29)41(19)18-21-10-6-3-7-11-21)27(42)12-22-30(36-17-20-8-4-2-5-9-20)39-25(15-34)23(13-32)37-22/h2-11H,12,17-18H2,1H3,(H,36,39)
InChIKeyDZNBFQKEJZPXNH-UHFFFAOYSA-N
MW548.57 g/mol
LogP4.10
Rot. Bonds8

About 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (PubChem CID 15476474) has the molecular formula C31H20N10O and a molecular weight of 548.57 g/mol. Its IUPAC name is 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
PubChem CID15476474
Molecular FormulaC31H20N10O
Molecular Weight548.57 g/mol
Exact Mass548.18
IUPAC Name5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCc1c(C(=O)Cc2nc(C#N)c(C#N)nc2NCc2ccccc2)c2nc(C#N)c(C#N)nc2n1Cc1ccccc1
InChIInChI=1S/C31H20N10O/c1-19-28(29-31(40-26(16-35)24(14-33)38-29)41(19)18-21-10-6-3-7-11-21)27(42)12-22-30(36-17-20-8-4-2-5-9-20)39-25(15-34)23(13-32)37-22/h2-11H,12,17-18H2,1H3,(H,36,39)
InChIKeyDZNBFQKEJZPXNH-UHFFFAOYSA-N
XLogP4.10
TPSA180.75 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.57
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
7-acetyl-5-benzyl-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 15476466
6-(benzylamino)pyrazine-2,3,5-tricarbonitrile
CID 154109669
8-benzyl-2-(benzylamino)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 1383249
6-(benzylamino)-5-chloro-2-methylpyridine-3-carboxylic acid
CID 130565238
ethyl 4-amino-1-benzyl-2,3,6-trimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 13012187
1-benzyl-2-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]amino]imidazole-4,5-dicarbonitrile;hydrobromide
CID 87858815
1-(1-benzyl-2,5-dimethylimidazol-4-yl)ethanone
CID 139467477
1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
CID 122212444
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
1-benzyl-4-(benzylamino)-6-methyl-3H-imidazo[4,5-c]pyridin-2-one
CID 58948131
ethyl (E)-3-(1-benzyl-3-cyano-4,6-dimethylpyrrolo[2,3-b]pyridin-2-yl)prop-2-enoate
CID 149163369

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CID 15476474) is 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is Cc1c(C(=O)Cc2nc(C#N)c(C#N)nc2NCc2ccccc2)c2nc(C#N)c(C#N)nc2n1Cc1ccccc1.
What is the InChIKey of 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is DZNBFQKEJZPXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N10O/c1-19-28(29-31(40-26(16-35)24(14-33)38-29)41(19)18-21-10-6-3-7-11-21)27(42)12-22-30(36-17-20-8-4-2-5-9-20)39-25(15-34)23(13-32)37-22/h2-11H,12,17-18H2,1H3,(H,36,39).
What are the key properties of 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 548.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-[2-[3-(benzylamino)-5,6-dicyanopyrazin-2-yl]acetyl]-6-methylpyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 15476474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).