N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine

C20H18N4O — CID 174997515

IUPACN-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCOc1ccccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1
InChIInChI=1S/C20H18N4O/c1-24-13-15(12-22-24)16-7-5-6-14-11-21-20(10-17(14)16)23-18-8-3-4-9-19(18)25-2/h3-13H,1-2H3,(H,21,23)
InChIKeyHVVBTBVUOUIHPG-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.39
Rot. Bonds4

About N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine

N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine (PubChem CID 174997515) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
PubChem CID174997515
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCOc1ccccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1
InChIInChI=1S/C20H18N4O/c1-24-13-15(12-22-24)16-7-5-6-14-11-21-20(10-17(14)16)23-18-8-3-4-9-19(18)25-2/h3-13H,1-2H3,(H,21,23)
InChIKeyHVVBTBVUOUIHPG-UHFFFAOYSA-N
XLogP4.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxyphenyl)-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

Related Compounds

4-N-(2,6-dimethylpyrimidin-4-yl)-6-N-[2-methoxy-3-(1-methylpyrazol-4-yl)phenyl]pyrimidine-4,6-diamine
CID 168859228
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
2-methoxy-3-(1-methylpyrazol-4-yl)benzenethiol
CID 171086483
2-methoxy-6-(1-methylpyrazol-4-yl)phenol
CID 83130518
N-(2-methoxy-3-pyridinyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548649
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
CID 72547993
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
2-N-(2-methoxyphenyl)-5-methylpyridine-2,4-diamine
CID 83265211
N-[4-[(dimethylamino)methyl]-2-methoxyphenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 66548108
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 118914248
propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66546349

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine (CID 174997515) is N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine is COc1ccccc1Nc1cc2c(-c3cnn(C)c3)cccc2cn1.
What is the InChIKey of N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is HVVBTBVUOUIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-24-13-15(12-22-24)16-7-5-6-14-11-21-20(10-17(14)16)23-18-8-3-4-9-19(18)25-2/h3-13H,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 330.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-(1-methylpyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 174997515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).