6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine

C19H18N6O — CID 170435536

IUPAC6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine
SMILESCc1ncc(Nc2nccc3cc(OCc4ccn(C)n4)ccc23)cn1
InChIInChI=1S/C19H18N6O/c1-13-21-10-16(11-22-13)23-19-18-4-3-17(9-14(18)5-7-20-19)26-12-15-6-8-25(2)24-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyOPRWDIQTCIAXON-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds5

About 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine

6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine (PubChem CID 170435536) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine
PubChem CID170435536
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine
SMILESCc1ncc(Nc2nccc3cc(OCc4ccn(C)n4)ccc23)cn1
InChIInChI=1S/C19H18N6O/c1-13-21-10-16(11-22-13)23-19-18-4-3-17(9-14(18)5-7-20-19)26-12-15-6-8-25(2)24-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyOPRWDIQTCIAXON-UHFFFAOYSA-N
XLogP3.39
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)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

Related Compounds

2-[1-[[1-[(2-methylpyrimidin-5-yl)amino]isoquinolin-6-yl]oxymethyl]cyclopropyl]acetonitrile
CID 170614534
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-(2-chloropyrimidin-5-yl)-6-[dideuterio-(1-methylpyrazol-4-yl)methoxy]isoquinolin-1-amine
CID 171404425
N-(6-chloro-3-pyridinyl)-6-(1H-pyrazol-4-ylmethoxy)isoquinolin-1-amine
CID 170450356
3-[(4-bromo-3-methylphenoxy)methyl]-1-methylpyrazole
CID 83133039
[1-[(2-chloropyrimidin-5-yl)amino]isoquinolin-6-yl] hypofluorite
CID 170450675
N-(6-chloro-3-pyridinyl)-6-(2-methoxyethoxy)isoquinolin-1-amine
CID 170435914
6-[(5-chloro-1H-pyrazol-4-yl)methoxy]-N-(6-chloro-3-pyridinyl)isoquinolin-1-amine
CID 170450367
N-(6-chloro-3-pyridinyl)-6-(1,2-thiazol-4-ylmethoxy)isoquinolin-1-amine
CID 170435872
6-(2-bromoethoxy)-N-(6-chloro-3-pyridinyl)isoquinolin-1-amine
CID 170436032
N-(6-chloro-3-pyridinyl)-6-[[5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]methoxy]isoquinolin-1-amine
CID 170614563
N-(6-chloro-3-pyridinyl)-6-[2-(3-methylmorpholin-4-yl)ethoxy]isoquinolin-1-amine
CID 171404394

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine?
The IUPAC name of 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine (CID 170435536) is 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine.
What is the SMILES notation for 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine?
The canonical SMILES for 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine is Cc1ncc(Nc2nccc3cc(OCc4ccn(C)n4)ccc23)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine?
The InChIKey is OPRWDIQTCIAXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-13-21-10-16(11-22-13)23-19-18-4-3-17(9-14(18)5-7-20-19)26-12-15-6-8-25(2)24-15/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine?
6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine has a molecular weight of 346.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-3-yl)methoxy]-N-(2-methylpyrimidin-5-yl)isoquinolin-1-amine is sourced from PubChem (CID 170435536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).