7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline

C26H19ClN4 — CID 140509148

IUPAC7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
SMILESC=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cncc(Cl)n23)C1
InChIInChI=1S/C26H19ClN4/c1-16-11-20(12-16)26-30-25(23-14-28-15-24(27)31(23)26)19-8-7-18-9-10-21(29-22(18)13-19)17-5-3-2-4-6-17/h2-10,13-15,20H,1,11-12H2
InChIKeyHLPKHUFUJGZDKA-UHFFFAOYSA-N
MW422.92 g/mol
LogP6.70
Rot. Bonds3

About 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline

7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline (PubChem CID 140509148) has the molecular formula C26H19ClN4 and a molecular weight of 422.92 g/mol. Its IUPAC name is 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline.

Molecular Properties

Compound Name7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
PubChem CID140509148
Molecular FormulaC26H19ClN4
Molecular Weight422.92 g/mol
Exact Mass422.13
IUPAC Name7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
SMILESC=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cncc(Cl)n23)C1
InChIInChI=1S/C26H19ClN4/c1-16-11-20(12-16)26-30-25(23-14-28-15-24(27)31(23)26)19-8-7-18-9-10-21(29-22(18)13-19)17-5-3-2-4-6-17/h2-10,13-15,20H,1,11-12H2
InChIKeyHLPKHUFUJGZDKA-UHFFFAOYSA-N
XLogP6.70
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-one
CID 87593436
2-phenyl-7-[3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyrazin-1-yl]quinoline
CID 68629592
7-[8-chloro-7-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-8H-imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 130348840
6-phenyl-5-azatetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
CID 140693393
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
5-chloro-3-cyclobutyl-1-iodoimidazo[1,5-a]pyrazine
CID 140542213
2-[4-[7-(2-isoquinolin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 164780625
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 143120587
[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(hydroxymethyl)cyclobutyl]oxidanium
CID 143120577
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143701228

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The IUPAC name of 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline (CID 140509148) is 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline.
What is the SMILES notation for 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The canonical SMILES for 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline is C=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3cncc(Cl)n23)C1.
What is the InChIKey of 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The InChIKey is HLPKHUFUJGZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4/c1-16-11-20(12-16)26-30-25(23-14-28-15-24(27)31(23)26)19-8-7-18-9-10-21(29-22(18)13-19)17-5-3-2-4-6-17/h2-10,13-15,20H,1,11-12H2.
What are the key properties of 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline has a molecular weight of 422.92 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-3-(3-methylidenecyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline is sourced from PubChem (CID 140509148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).