6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine

C27H26N6O — CID 71525069

IUPAC6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(N)nccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H26N6O/c1-33(2)15-16-34-22-6-3-19(4-7-22)27-31-24(18-9-12-29-13-10-18)25(32-27)21-5-8-23-20(17-21)11-14-30-26(23)28/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,31,32)
InChIKeyRRUFIJJHNROCPL-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.88
Rot. Bonds7

About 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine (PubChem CID 71525069) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine
PubChem CID71525069
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine
SMILESCN(C)CCOc1ccc(-c2nc(-c3ccc4c(N)nccc4c3)c(-c3ccncc3)[nH]2)cc1
InChIInChI=1S/C27H26N6O/c1-33(2)15-16-34-22-6-3-19(4-7-22)27-31-24(18-9-12-29-13-10-18)25(32-27)21-5-8-23-20(17-21)11-14-30-26(23)28/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,31,32)
InChIKeyRRUFIJJHNROCPL-UHFFFAOYSA-N
XLogP4.88
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine?
The IUPAC name of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine (CID 71525069) is 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine.
What is the SMILES notation for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine?
The canonical SMILES for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine is CN(C)CCOc1ccc(-c2nc(-c3ccc4c(N)nccc4c3)c(-c3ccncc3)[nH]2)cc1.
What is the InChIKey of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine?
The InChIKey is RRUFIJJHNROCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-33(2)15-16-34-22-6-3-19(4-7-22)27-31-24(18-9-12-29-13-10-18)25(32-27)21-5-8-23-20(17-21)11-14-30-26(23)28/h3-14,17H,15-16H2,1-2H3,(H2,28,30)(H,31,32).
What are the key properties of 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine?
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine has a molecular weight of 450.55 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]isoquinolin-1-amine is sourced from PubChem (CID 71525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).