6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

C22H14N8 — CID 23994062

IUPAC6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)c3nc(C#N)c(C#N)nc32)cc1
InChIInChI=1S/C22H14N8/c1-12-6-8-13(9-7-12)30-20(25)18(21-27-14-4-2-3-5-15(14)28-21)19-22(30)29-17(11-24)16(10-23)26-19/h2-9H,25H2,1H3,(H,27,28)
InChIKeyCRSUSFRXDJISQP-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.60
Rot. Bonds2

About 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (PubChem CID 23994062) has the molecular formula C22H14N8 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
PubChem CID23994062
Molecular FormulaC22H14N8
Molecular Weight390.41 g/mol
Exact Mass390.13
IUPAC Name6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)c3nc(C#N)c(C#N)nc32)cc1
InChIInChI=1S/C22H14N8/c1-12-6-8-13(9-7-12)30-20(25)18(21-27-14-4-2-3-5-15(14)28-21)19-22(30)29-17(11-24)16(10-23)26-19/h2-9H,25H2,1H3,(H,27,28)
InChIKeyCRSUSFRXDJISQP-UHFFFAOYSA-N
XLogP3.60
TPSA132.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[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

6-amino-7-(1H-benzimidazol-2-yl)-5-(2-hydroxyethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 127029291
6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 127028986
1-[4-(1H-benzimidazol-2-yl)phenyl]-2,5-dimethylpyrrole-3-carbonitrile
CID 2080971
7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine
CID 174325292
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
CID 23989728
6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile
CID 166593663
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-amino-1-(4-aminophenyl)pyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 911015
3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine
CID 7693529
4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
CID 102199414
2,5-diamino-3-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 101114567
1-(4-methylphenyl)-2-pyrrol-1-ylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
CID 2310656

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CID 23994062) is 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is Cc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)c3nc(C#N)c(C#N)nc32)cc1.
What is the InChIKey of 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is CRSUSFRXDJISQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N8/c1-12-6-8-13(9-7-12)30-20(25)18(21-27-14-4-2-3-5-15(14)28-21)19-22(30)29-17(11-24)16(10-23)26-19/h2-9H,25H2,1H3,(H,27,28).
What are the key properties of 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 390.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 23994062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).