2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine

C25H24N6O — CID 166191676

IUPAC2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1ccc(N2CCc3c(cccc3NCc3ccc(Oc4cnccn4)cc3)C2)nn1
InChIInChI=1S/C25H24N6O/c1-18-5-10-24(30-29-18)31-14-11-22-20(17-31)3-2-4-23(22)28-15-19-6-8-21(9-7-19)32-25-16-26-12-13-27-25/h2-10,12-13,16,28H,11,14-15,17H2,1H3
InChIKeyYAJAXZOGTKVVEF-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.54
Rot. Bonds6

About 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine

2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 166191676) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID166191676
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCc1ccc(N2CCc3c(cccc3NCc3ccc(Oc4cnccn4)cc3)C2)nn1
InChIInChI=1S/C25H24N6O/c1-18-5-10-24(30-29-18)31-14-11-22-20(17-31)3-2-4-23(22)28-15-19-6-8-21(9-7-19)32-25-16-26-12-13-27-25/h2-10,12-13,16,28H,11,14-15,17H2,1H3
InChIKeyYAJAXZOGTKVVEF-UHFFFAOYSA-N
XLogP4.54
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine (CID 166191676) is 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine is Cc1ccc(N2CCc3c(cccc3NCc3ccc(Oc4cnccn4)cc3)C2)nn1.
What is the InChIKey of 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is YAJAXZOGTKVVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-18-5-10-24(30-29-18)31-14-11-22-20(17-31)3-2-4-23(22)28-15-19-6-8-21(9-7-19)32-25-16-26-12-13-27-25/h2-10,12-13,16,28H,11,14-15,17H2,1H3.
What are the key properties of 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine?
2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 424.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridazin-3-yl)-N-[(4-pyrazin-2-yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 166191676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).