6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

C23H16N8 — CID 1183726

IUPAC6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCn1c(-c2c(N)n(Cc3ccccc3)c3nc(C#N)c(C#N)nc23)nc2ccccc21
InChIInChI=1S/C23H16N8/c1-30-18-10-6-5-9-15(18)28-22(30)19-20-23(29-17(12-25)16(11-24)27-20)31(21(19)26)13-14-7-3-2-4-8-14/h2-10H,13,26H2,1H3
InChIKeyRVWCBIABQXXJPM-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.36
Rot. Bonds3

About 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile

6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (PubChem CID 1183726) has the molecular formula C23H16N8 and a molecular weight of 404.44 g/mol. Its IUPAC name is 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
PubChem CID1183726
Molecular FormulaC23H16N8
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESCn1c(-c2c(N)n(Cc3ccccc3)c3nc(C#N)c(C#N)nc23)nc2ccccc21
InChIInChI=1S/C23H16N8/c1-30-18-10-6-5-9-15(18)28-22(30)19-20-23(29-17(12-25)16(11-24)27-20)31(21(19)26)13-14-7-3-2-4-8-14/h2-10H,13,26H2,1H3
InChIKeyRVWCBIABQXXJPM-UHFFFAOYSA-N
XLogP3.36
TPSA122.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CID 1183726) is 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is Cn1c(-c2c(N)n(Cc3ccccc3)c3nc(C#N)c(C#N)nc23)nc2ccccc21.
What is the InChIKey of 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is RVWCBIABQXXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8/c1-30-18-10-6-5-9-15(18)28-22(30)19-20-23(29-17(12-25)16(11-24)27-20)31(21(19)26)13-14-7-3-2-4-8-14/h2-10H,13,26H2,1H3.
What are the key properties of 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 404.44 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-benzyl-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 1183726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).