N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine

C29H30N6O2 — CID 73388611

IUPACN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine
SMILESCOc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cnn(C4CCOCC4)c3)ccc2cn1
InChIInChI=1S/C29H30N6O2/c1-19-30-17-27(34(19)2)21-6-7-26(28(13-21)36-3)33-29-14-23-12-20(4-5-22(23)15-31-29)24-16-32-35(18-24)25-8-10-37-11-9-25/h4-7,12-18,25H,8-11H2,1-3H3,(H,31,33)
InChIKeyKTQIYSRSPCMRNB-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.91
Rot. Bonds6

About N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine

N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine (PubChem CID 73388611) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine.

Molecular Properties

Compound NameN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine
PubChem CID73388611
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine
SMILESCOc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cnn(C4CCOCC4)c3)ccc2cn1
InChIInChI=1S/C29H30N6O2/c1-19-30-17-27(34(19)2)21-6-7-26(28(13-21)36-3)33-29-14-23-12-20(4-5-22(23)15-31-29)24-16-32-35(18-24)25-8-10-37-11-9-25/h4-7,12-18,25H,8-11H2,1-3H3,(H,31,33)
InChIKeyKTQIYSRSPCMRNB-UHFFFAOYSA-N
XLogP5.91
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-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 N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine?
The IUPAC name of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine (CID 73388611) is N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine.
What is the SMILES notation for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine?
The canonical SMILES for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine is COc1cc(-c2cnc(C)n2C)ccc1Nc1cc2cc(-c3cnn(C4CCOCC4)c3)ccc2cn1.
What is the InChIKey of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine?
The InChIKey is KTQIYSRSPCMRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-19-30-17-27(34(19)2)21-6-7-26(28(13-21)36-3)33-29-14-23-12-20(4-5-22(23)15-31-29)24-16-32-35(18-24)25-8-10-37-11-9-25/h4-7,12-18,25H,8-11H2,1-3H3,(H,31,33).
What are the key properties of N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine?
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine has a molecular weight of 494.60 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(oxan-4-yl)pyrazol-4-yl]isoquinolin-3-amine is sourced from PubChem (CID 73388611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).