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

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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).