6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine

C22H19N5 — CID 145392525

IUPAC6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine
SMILESCc1cc(C2(Nc3cc4cc(-c5cncn5C)ccc4cn3)C=C2)ccn1
InChIInChI=1S/C22H19N5/c1-15-9-19(5-8-24-15)22(6-7-22)26-21-11-18-10-16(3-4-17(18)12-25-21)20-13-23-14-27(20)2/h3-14H,1-2H3,(H,25,26)
InChIKeyOHFNRNMJNZLGCO-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.22
Rot. Bonds4

About 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine

6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine (PubChem CID 145392525) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine.

Molecular Properties

Compound Name6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine
PubChem CID145392525
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine
SMILESCc1cc(C2(Nc3cc4cc(-c5cncn5C)ccc4cn3)C=C2)ccn1
InChIInChI=1S/C22H19N5/c1-15-9-19(5-8-24-15)22(6-7-22)26-21-11-18-10-16(3-4-17(18)12-25-21)20-13-23-14-27(20)2/h3-14H,1-2H3,(H,25,26)
InChIKeyOHFNRNMJNZLGCO-UHFFFAOYSA-N
XLogP4.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine with MolForge

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Related Compounds

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
N-[1-(4,4-difluorocyclohexyl)ethenyl]-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 166954633
6-(3-methylimidazol-4-yl)-N-[3-(2-methylprop-1-enylsulfanyl)buta-1,3-dien-2-yl]isoquinolin-3-amine
CID 142575147
5-fluoro-6-[1-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]amino]ethenyl]benzene-1,2,3,4-tetrol
CID 138579889
6-(3-methylimidazol-4-yl)-N-(3-piperidin-1-ylbut-1-en-2-yl)isoquinolin-3-amine
CID 166954580
2-[(1E)-buta-1,3-dienyl]-3,4,5,6-tetramethylbenzenethiol;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 153384560
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
6-(3-methylimidazol-4-yl)-N-[3-(4-methylpiperidin-1-yl)prop-1-en-2-yl]isoquinolin-3-amine
CID 166954769
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
CID 158342850

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine?
The IUPAC name of 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine (CID 145392525) is 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine.
What is the SMILES notation for 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine?
The canonical SMILES for 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine is Cc1cc(C2(Nc3cc4cc(-c5cncn5C)ccc4cn3)C=C2)ccn1.
What is the InChIKey of 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine?
The InChIKey is OHFNRNMJNZLGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-15-9-19(5-8-24-15)22(6-7-22)26-21-11-18-10-16(3-4-17(18)12-25-21)20-13-23-14-27(20)2/h3-14H,1-2H3,(H,25,26).
What are the key properties of 6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine?
6-(3-methylimidazol-4-yl)-N-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine has a molecular weight of 353.43 g/mol, XLogP of 4.22, 4 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-[1-(2-methyl-4-pyridinyl)cycloprop-2-en-1-yl]isoquinolin-3-amine is sourced from PubChem (CID 145392525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).