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

C21H19N9O — CID 127028986

IUPAC6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCN3CCOCC3)c2nc1C#N
InChIInChI=1S/C21H19N9O/c22-11-15-16(12-23)28-21-18(25-15)17(20-26-13-3-1-2-4-14(13)27-20)19(24)30(21)6-5-29-7-9-31-10-8-29/h1-4H,5-10,24H2,(H,26,27)
InChIKeyNNLBMBOZSRJPIS-UHFFFAOYSA-N
MW413.45 g/mol
LogP1.63
Rot. Bonds4

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

6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (PubChem CID 127028986) has the molecular formula C21H19N9O and a molecular weight of 413.45 g/mol. Its IUPAC name is 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
PubChem CID127028986
Molecular FormulaC21H19N9O
Molecular Weight413.45 g/mol
Exact Mass413.17
IUPAC Name6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
SMILESN#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCN3CCOCC3)c2nc1C#N
InChIInChI=1S/C21H19N9O/c22-11-15-16(12-23)28-21-18(25-15)17(20-26-13-3-1-2-4-14(13)27-20)19(24)30(21)6-5-29-7-9-31-10-8-29/h1-4H,5-10,24H2,(H,26,27)
InChIKeyNNLBMBOZSRJPIS-UHFFFAOYSA-N
XLogP1.63
TPSA145.46 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)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-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 23994062
7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine
CID 174325292
6-amino-5-(oxolan-2-ylmethyl)-7-(4-oxo-3H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 135458545
4-[2-(2-phenyl-1H-benzimidazol-4-yl)ethyl]morpholine
CID 22368455
4-[2-[4-[[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526507
2-amino-1-(2-morpholin-4-ylethyl)-N-phenylpyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 23855568
6-amino-7-(1-benzylbenzimidazol-2-yl)-5-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 2790133
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-(2-morpholin-4-ylethyl)purin-6-amine
CID 50930759
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
[(3R)-3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] morpholine-4-carbodithioate
CID 6996163
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile (CID 127028986) is 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCN3CCOCC3)c2nc1C#N.
What is the InChIKey of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
The InChIKey is NNLBMBOZSRJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O/c22-11-15-16(12-23)28-21-18(25-15)17(20-26-13-3-1-2-4-14(13)27-20)19(24)30(21)6-5-29-7-9-31-10-8-29/h1-4H,5-10,24H2,(H,26,27).
What are the key properties of 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile?
6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile has a molecular weight of 413.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(1H-benzimidazol-2-yl)-5-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 127028986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).