N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide

C21H19N5O — CID 118660721

IUPACN-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(N)ncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C21H19N5O/c1-13(27)25-17-7-8-18-19(9-17)20(11-23-21(18)22)15-5-3-14(4-6-15)16-10-24-26(2)12-16/h3-12H,1-2H3,(H2,22,23)(H,25,27)
InChIKeyNUIUYBDMUVUCKC-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.84
Rot. Bonds3

About N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide

N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide (PubChem CID 118660721) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide
PubChem CID118660721
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(N)ncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1
InChIInChI=1S/C21H19N5O/c1-13(27)25-17-7-8-18-19(9-17)20(11-23-21(18)22)15-5-3-14(4-6-15)16-10-24-26(2)12-16/h3-12H,1-2H3,(H2,22,23)(H,25,27)
InChIKeyNUIUYBDMUVUCKC-UHFFFAOYSA-N
XLogP3.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide 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-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide?
The IUPAC name of N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide (CID 118660721) is N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide.
What is the SMILES notation for N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide?
The canonical SMILES for N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide is CC(=O)Nc1ccc2c(N)ncc(-c3ccc(-c4cnn(C)c4)cc3)c2c1.
What is the InChIKey of N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide?
The InChIKey is NUIUYBDMUVUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13(27)25-17-7-8-18-19(9-17)20(11-23-21(18)22)15-5-3-14(4-6-15)16-10-24-26(2)12-16/h3-12H,1-2H3,(H2,22,23)(H,25,27).
What are the key properties of N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide?
N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-4-[4-(1-methylpyrazol-4-yl)phenyl]isoquinolin-6-yl]acetamide is sourced from PubChem (CID 118660721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).