6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine

C26H26N6 — CID 141446122

IUPAC6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine
SMILESCc1cnn(Cc2ccc(CC3=CN(Cc4ccc5c(N)nccc5c4)NC=C3)cc2)c1
InChIInChI=1S/C26H26N6/c1-19-14-30-31(15-19)16-21-4-2-20(3-5-21)12-23-8-11-29-32(18-23)17-22-6-7-25-24(13-22)9-10-28-26(25)27/h2-11,13-15,18,29H,12,16-17H2,1H3,(H2,27,28)
InChIKeyYXENJRDFJWEUDQ-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.33
Rot. Bonds6

About 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine

6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine (PubChem CID 141446122) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine
PubChem CID141446122
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine
SMILESCc1cnn(Cc2ccc(CC3=CN(Cc4ccc5c(N)nccc5c4)NC=C3)cc2)c1
InChIInChI=1S/C26H26N6/c1-19-14-30-31(15-19)16-21-4-2-20(3-5-21)12-23-8-11-29-32(18-23)17-22-6-7-25-24(13-22)9-10-28-26(25)27/h2-11,13-15,18,29H,12,16-17H2,1H3,(H2,27,28)
InChIKeyYXENJRDFJWEUDQ-UHFFFAOYSA-N
XLogP4.33
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine 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 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine (CID 141446122) is 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine is Cc1cnn(Cc2ccc(CC3=CN(Cc4ccc5c(N)nccc5c4)NC=C3)cc2)c1.
What is the InChIKey of 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine?
The InChIKey is YXENJRDFJWEUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-19-14-30-31(15-19)16-21-4-2-20(3-5-21)12-23-8-11-29-32(18-23)17-22-6-7-25-24(13-22)9-10-28-26(25)27/h2-11,13-15,18,29H,12,16-17H2,1H3,(H2,27,28).
What are the key properties of 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine?
6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine has a molecular weight of 422.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine is sourced from PubChem (CID 141446122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).