N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine

C22H26N4 — CID 138580015

IUPACN-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(C3=CN=C(C)C3)ccc2cn1)C1CCN(C)CC1
InChIInChI=1S/C22H26N4/c1-15-10-21(14-23-15)18-4-5-19-13-24-22(12-20(19)11-18)25-16(2)17-6-8-26(3)9-7-17/h4-5,11-14,17H,2,6-10H2,1,3H3,(H,24,25)
InChIKeyMMPROEXZKWYVCY-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.71
Rot. Bonds4

About N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine

N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine (PubChem CID 138580015) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
PubChem CID138580015
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(C3=CN=C(C)C3)ccc2cn1)C1CCN(C)CC1
InChIInChI=1S/C22H26N4/c1-15-10-21(14-23-15)18-4-5-19-13-24-22(12-20(19)11-18)25-16(2)17-6-8-26(3)9-7-17/h4-5,11-14,17H,2,6-10H2,1,3H3,(H,24,25)
InChIKeyMMPROEXZKWYVCY-UHFFFAOYSA-N
XLogP4.71
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-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

N-[1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]ethenyl]-6-(3H-pyrrol-4-yl)isoquinolin-3-amine
CID 166954917
N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166702482
N-[1-(1-cyclopropylpiperidin-4-yl)ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954586
N-[cyclopropylidene-[3-(4-methylpiperidin-1-yl)cyclobutyl]methyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine
CID 166954799
2-[4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]piperidin-1-yl]ethanol
CID 166702386
6-(1-methylpyrazol-4-yl)-N-[1-[1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954852
1-N-[8-fluoro-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-yl]-1-N'-methyl-1-N'-(1-methylpiperidin-4-yl)ethene-1,1-diamine
CID 138579989
N-[1-(1-propan-2-ylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166955081
6-(1-methylpyrazol-4-yl)-N-[1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166955007
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
N-[1-[1-(4-methylpentyl)piperidin-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954940
6-(1-methylpyrazol-4-yl)-N-[1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954965

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine (CID 138580015) is N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine is C=C(Nc1cc2cc(C3=CN=C(C)C3)ccc2cn1)C1CCN(C)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
The InChIKey is MMPROEXZKWYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-10-21(14-23-15)18-4-5-19-13-24-22(12-20(19)11-18)25-16(2)17-6-8-26(3)9-7-17/h4-5,11-14,17H,2,6-10H2,1,3H3,(H,24,25).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine?
N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine has a molecular weight of 346.48 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(2-methyl-3H-pyrrol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 138580015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).