7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol

C24H20N4O — CID 155340520

IUPAC7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESCc1ccc(C#CC2(O)CCn3ccnc32)cc1-c1ccc2ccnc(N)c2c1
InChIInChI=1S/C24H20N4O/c1-16-2-3-17(6-8-24(29)9-12-28-13-11-27-23(24)28)14-20(16)19-5-4-18-7-10-26-22(25)21(18)15-19/h2-5,7,10-11,13-15,29H,9,12H2,1H3,(H2,25,26)
InChIKeyYZBSRRKBHMQVEU-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.63
Rot. Bonds1

About 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol

7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (PubChem CID 155340520) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.

Molecular Properties

Compound Name7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
PubChem CID155340520
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol
SMILESCc1ccc(C#CC2(O)CCn3ccnc32)cc1-c1ccc2ccnc(N)c2c1
InChIInChI=1S/C24H20N4O/c1-16-2-3-17(6-8-24(29)9-12-28-13-11-27-23(24)28)14-20(16)19-5-4-18-7-10-26-22(25)21(18)15-19/h2-5,7,10-11,13-15,29H,9,12H2,1H3,(H2,25,26)
InChIKeyYZBSRRKBHMQVEU-UHFFFAOYSA-N
XLogP3.63
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The IUPAC name of 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol (CID 155340520) is 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol.
What is the SMILES notation for 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The canonical SMILES for 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is Cc1ccc(C#CC2(O)CCn3ccnc32)cc1-c1ccc2ccnc(N)c2c1.
What is the InChIKey of 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
The InChIKey is YZBSRRKBHMQVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-2-3-17(6-8-24(29)9-12-28-13-11-27-23(24)28)14-20(16)19-5-4-18-7-10-26-22(25)21(18)15-19/h2-5,7,10-11,13-15,29H,9,12H2,1H3,(H2,25,26).
What are the key properties of 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol?
7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol has a molecular weight of 380.45 g/mol, XLogP of 3.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(1-aminoisoquinolin-7-yl)-4-methylphenyl]ethynyl]-5,6-dihydropyrrolo[1,2-a]imidazol-7-ol is sourced from PubChem (CID 155340520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).