6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine

C22H27N5 — CID 166954580

IUPAC6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)C(C)N1CCCCC1
InChIInChI=1S/C22H27N5/c1-16(17(2)27-9-5-4-6-10-27)25-22-12-20-11-18(7-8-19(20)13-24-22)21-14-23-15-26(21)3/h7-8,11-15,17H,1,4-6,9-10H2,2-3H3,(H,24,25)
InChIKeyCPZYYGZKQJJOQR-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.44
Rot. Bonds5

About 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine

6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine (PubChem CID 166954580) 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-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
PubChem CID166954580
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)C(C)N1CCCCC1
InChIInChI=1S/C22H27N5/c1-16(17(2)27-9-5-4-6-10-27)25-22-12-20-11-18(7-8-19(20)13-24-22)21-14-23-15-26(21)3/h7-8,11-15,17H,1,4-6,9-10H2,2-3H3,(H,24,25)
InChIKeyCPZYYGZKQJJOQR-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylpyrazol-4-yl)-N-[(3S)-3-pyrrolidin-1-ylbut-1-en-2-yl]isoquinolin-3-amine
CID 166954289
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
N-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954914
6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
CID 166954769
6-(3-methylimidazol-4-yl)-N-[3-(2-methylprop-1-enylsulfanyl)buta-1,3-dien-2-yl]isoquinolin-3-amine
CID 142575147
1-cyclopropyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]piperidine-4-carbothioamide
CID 166702508
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
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
2-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1,3-thiazole-4-carboxamide
CID 138585624

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine?
The IUPAC name of 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine (CID 166954580) is 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine.
What is the SMILES notation for 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine?
The canonical SMILES for 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine is C=C(Nc1cc2cc(-c3cncn3C)ccc2cn1)C(C)N1CCCCC1.
What is the InChIKey of 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine?
The InChIKey is CPZYYGZKQJJOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-16(17(2)27-9-5-4-6-10-27)25-22-12-20-11-18(7-8-19(20)13-24-22)21-14-23-15-26(21)3/h7-8,11-15,17H,1,4-6,9-10H2,2-3H3,(H,24,25).
What are the key properties of 6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine?
6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine has a molecular weight of 361.49 g/mol, XLogP of 4.44, 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-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine is sourced from PubChem (CID 166954580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).