3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone

C21H19FN4O — CID 109281425

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCc2ccccc2F)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C21H19FN4O/c22-18-8-4-3-6-16(18)11-24-20-13-23-19(12-25-20)21(27)26-10-9-15-5-1-2-7-17(15)14-26/h1-8,12-13H,9-11,14H2,(H,24,25)
InChIKeyINXUOLXRAHOPJV-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.43
Rot. Bonds4

About 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone (PubChem CID 109281425) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
PubChem CID109281425
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
SMILESO=C(c1cnc(NCc2ccccc2F)cn1)N1CCc2ccccc2C1
InChIInChI=1S/C21H19FN4O/c22-18-8-4-3-6-16(18)11-24-20-13-23-19(12-25-20)21(27)26-10-9-15-5-1-2-7-17(15)14-26/h1-8,12-13H,9-11,14H2,(H,24,25)
InChIKeyINXUOLXRAHOPJV-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[5-(2-morpholin-4-ylethylamino)pyrazin-2-yl]methanone
CID 109277620
(5-anilinopyrazin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109284050
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295
1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279048
3,4-dihydro-1H-isoquinolin-2-yl-[5-[2-(1H-indol-3-yl)ethylamino]pyrazin-2-yl]methanone
CID 109284033
1,3-dihydroisoindol-2-yl-[5-(propylamino)pyrazin-2-yl]methanone
CID 107375381
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109273905
3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,5-dimethylanilino)pyrazin-2-yl]methanone
CID 109284060
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035
3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172324
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone (CID 109281425) is 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone is O=C(c1cnc(NCc2ccccc2F)cn1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone?
The InChIKey is INXUOLXRAHOPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-18-8-4-3-6-16(18)11-24-20-13-23-19(12-25-20)21(27)26-10-9-15-5-1-2-7-17(15)14-26/h1-8,12-13H,9-11,14H2,(H,24,25).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone has a molecular weight of 362.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone is sourced from PubChem (CID 109281425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).