7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine

C24H25N7 — CID 174325292

IUPAC7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine
SMILESC#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCN(CC)CC)c2nc1C#C
InChIInChI=1S/C24H25N7/c1-5-16-17(6-2)29-24-21(26-16)20(23-27-18-12-9-10-13-19(18)28-23)22(25)31(24)15-11-14-30(7-3)8-4/h1-2,9-10,12-13H,7-8,11,14-15,25H2,3-4H3,(H,27,28)
InChIKeyZGHUIKLIWLUCRJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.25
Rot. Bonds7

About 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine

7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine (PubChem CID 174325292) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound Name7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine
PubChem CID174325292
Molecular FormulaC24H25N7
Molecular Weight411.51 g/mol
Exact Mass411.22
IUPAC Name7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine
SMILESC#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCN(CC)CC)c2nc1C#C
InChIInChI=1S/C24H25N7/c1-5-16-17(6-2)29-24-21(26-16)20(23-27-18-12-9-10-13-19(18)28-23)22(25)31(24)15-11-14-30(7-3)8-4/h1-2,9-10,12-13H,7-8,11,14-15,25H2,3-4H3,(H,27,28)
InChIKeyZGHUIKLIWLUCRJ-UHFFFAOYSA-N
XLogP3.25
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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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
6-amino-7-(1H-benzimidazol-2-yl)-5-(4-methylphenyl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 23994062
3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
4-(1H-benzimidazol-2-yl)-1-methyl-3-methylsulfanylpyrazol-5-amine
CID 102199414
3-(1H-benzimidazol-2-yloxy)-N,N-diethylpropan-1-amine
CID 154216054
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
4-amino-5-(1H-benzimidazol-2-yl)-1-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135496141
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
1-[2-(diethylamino)ethyl]benzimidazol-2-amine
CID 559474
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
6-amino-5-(oxolan-2-ylmethyl)-7-(4-oxo-3H-quinazolin-2-yl)pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile
CID 135458545

Frequently Asked Questions

What is the IUPAC name of 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine?
The IUPAC name of 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine (CID 174325292) is 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine.
What is the SMILES notation for 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine?
The canonical SMILES for 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine is C#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(CCCN(CC)CC)c2nc1C#C.
What is the InChIKey of 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine?
The InChIKey is ZGHUIKLIWLUCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c1-5-16-17(6-2)29-24-21(26-16)20(23-27-18-12-9-10-13-19(18)28-23)22(25)31(24)15-11-14-30(7-3)8-4/h1-2,9-10,12-13H,7-8,11,14-15,25H2,3-4H3,(H,27,28).
What are the key properties of 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine?
7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine has a molecular weight of 411.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-benzimidazol-2-yl)-5-[3-(diethylamino)propyl]-2,3-diethynylpyrrolo[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 174325292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).