N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine

C23H19ClN6 — CID 73386770

IUPACN-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCn1cc(-c2cccc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc23)cn1
InChIInChI=1S/C23H19ClN6/c1-29-14-25-12-22(29)15-6-7-21(20(24)8-15)28-23-9-19-16(10-26-23)4-3-5-18(19)17-11-27-30(2)13-17/h3-14H,1-2H3,(H,26,28)
InChIKeyBIJLZOHDIGNSQC-UHFFFAOYSA-N
MW414.90 g/mol
LogP5.43
Rot. Bonds4

About N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine

N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine (PubChem CID 73386770) has the molecular formula C23H19ClN6 and a molecular weight of 414.90 g/mol. Its IUPAC name is N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
PubChem CID73386770
Molecular FormulaC23H19ClN6
Molecular Weight414.90 g/mol
Exact Mass414.14
IUPAC NameN-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCn1cc(-c2cccc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc23)cn1
InChIInChI=1S/C23H19ClN6/c1-29-14-25-12-22(29)15-6-7-21(20(24)8-15)28-23-9-19-16(10-26-23)4-3-5-18(19)17-11-27-30(2)13-17/h3-14H,1-2H3,(H,26,28)
InChIKeyBIJLZOHDIGNSQC-UHFFFAOYSA-N
XLogP5.43
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.90
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-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-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine (CID 73386770) is N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine is Cn1cc(-c2cccc3cnc(Nc4ccc(-c5cncn5C)cc4Cl)cc23)cn1.
What is the InChIKey of N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is BIJLZOHDIGNSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6/c1-29-14-25-12-22(29)15-6-7-21(20(24)8-15)28-23-9-19-16(10-26-23)4-3-5-18(19)17-11-27-30(2)13-17/h3-14H,1-2H3,(H,26,28).
What are the key properties of N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 414.90 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(3-methylimidazol-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 73386770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).