6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine

C22H27N5 — CID 166954769

IUPAC6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
SMILESC=C(CN1CCC(C)CC1)Nc1cc2cc(-c3cncn3C)ccc2cn1
InChIInChI=1S/C22H27N5/c1-16-6-8-27(9-7-16)14-17(2)25-22-11-20-10-18(4-5-19(20)12-24-22)21-13-23-15-26(21)3/h4-5,10-13,15-16H,2,6-9,14H2,1,3H3,(H,24,25)
InChIKeyJVLANJZRJRIFPC-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.29
Rot. Bonds5

About 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine

6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine (PubChem CID 166954769) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine.

Molecular Properties

Compound Name6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
PubChem CID166954769
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
SMILESC=C(CN1CCC(C)CC1)Nc1cc2cc(-c3cncn3C)ccc2cn1
InChIInChI=1S/C22H27N5/c1-16-6-8-27(9-7-16)14-17(2)25-22-11-20-10-18(4-5-19(20)12-24-22)21-13-23-15-26(21)3/h4-5,10-13,15-16H,2,6-9,14H2,1,3H3,(H,24,25)
InChIKeyJVLANJZRJRIFPC-UHFFFAOYSA-N
XLogP4.29
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine with MolForge

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Related Compounds

2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
N-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954914
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
N-[3-(4-fluoropiperidin-1-yl)prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166954731
6-(4-methyl-1,2,4-triazol-3-yl)-N-(3-piperidin-1-ylprop-1-en-2-yl)isoquinolin-3-amine
CID 142562934
6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
CID 166954580
1-cyclopropyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]piperidine-4-carbothioamide
CID 166702508
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
6-(3-methylimidazol-4-yl)-N-[3-(2-methylprop-1-enylsulfanyl)buta-1,3-dien-2-yl]isoquinolin-3-amine
CID 142575147
N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166787296
5-fluoro-6-[1-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]amino]ethenyl]benzene-1,2,3,4-tetrol
CID 138579889
N-[3-[(3R)-3-fluoropyrrolidin-1-yl]prop-1-en-2-yl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166702228

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine?
The IUPAC name of 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine (CID 166954769) is 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine.
What is the SMILES notation for 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine?
The canonical SMILES for 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine is C=C(CN1CCC(C)CC1)Nc1cc2cc(-c3cncn3C)ccc2cn1.
What is the InChIKey of 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine?
The InChIKey is JVLANJZRJRIFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-6-8-27(9-7-16)14-17(2)25-22-11-20-10-18(4-5-19(20)12-24-22)21-13-23-15-26(21)3/h4-5,10-13,15-16H,2,6-9,14H2,1,3H3,(H,24,25).
What are the key properties of 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine?
6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine has a molecular weight of 361.49 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine is sourced from PubChem (CID 166954769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).