3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

C17H20F2N4O — CID 165154466

IUPAC3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(OC(C)(F)F)n2)cc2c1CCN(C)C2
InChIInChI=1S/C17H20F2N4O/c1-10-6-11(7-12-9-23(3)5-4-13(10)12)14-8-21-15(20)16(22-14)24-17(2,18)19/h6-8H,4-5,9H2,1-3H3,(H2,20,21)
InChIKeyMIIIIMSWUPXSHE-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.01
Rot. Bonds3

About 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine

3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (PubChem CID 165154466) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
PubChem CID165154466
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine
SMILESCc1cc(-c2cnc(N)c(OC(C)(F)F)n2)cc2c1CCN(C)C2
InChIInChI=1S/C17H20F2N4O/c1-10-6-11(7-12-9-23(3)5-4-13(10)12)14-8-21-15(20)16(22-14)24-17(2,18)19/h6-8H,4-5,9H2,1-3H3,(H2,20,21)
InChIKeyMIIIIMSWUPXSHE-UHFFFAOYSA-N
XLogP3.01
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine with MolForge

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Related Compounds

(2S)-5,5-difluoro-2-[2-fluoro-5-[5-(fluoromethoxy)pyrazin-2-yl]phenyl]-2-methyl-3,4-dihydropyridin-6-amine
CID 168287605
5-[2-Fluoro-4-[2-(morpholin-4-ylmethyl)-4-(trifluoromethyl)phenyl]phenyl]pyrazin-2-amine
CID 90314146
N'-[3-[4-(aminomethyl)phenyl]-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]ethane-1,2-diamine
CID 164620216
1-[2-[6-Amino-5-(2,4-dimethylphenyl)pyrazin-2-yl]oxyethyl]pyrrolidin-2-one
CID 172435076
3-(3,4-Dimethylphenyl)-6-[2-[di(propan-2-yl)amino]ethoxy]pyrazin-2-amine
CID 172435356
3-(3,4-Dimethylphenyl)-6-(2-imidazol-1-ylethoxy)pyrazin-2-amine
CID 172436300
3-(2,4-Dimethylphenyl)-6-[(1-methylpyrrolidin-2-yl)methoxy]pyrazin-2-amine
CID 172436359
3-(3,4-Dimethylphenyl)-6-(3-methylbutoxy)pyrazin-2-amine
CID 172436872
US20240317714, Example A48
CID 166982907
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[8-(trifluoromethyl)isoquinolin-3-yl]amino]pyrazine-2-carbonitrile
CID 44204151
3-Ethoxy-5-(5-fluoro-2-methylphenyl)pyrazin-2-amine
CID 57999080
5-(5-Fluoro-2-methylphenyl)-3-methoxypyrazin-2-amine
CID 57999128

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The IUPAC name of 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine (CID 165154466) is 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The canonical SMILES for 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is Cc1cc(-c2cnc(N)c(OC(C)(F)F)n2)cc2c1CCN(C)C2.
What is the InChIKey of 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
The InChIKey is MIIIIMSWUPXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-10-6-11(7-12-9-23(3)5-4-13(10)12)14-8-21-15(20)16(22-14)24-17(2,18)19/h6-8H,4-5,9H2,1-3H3,(H2,20,21).
What are the key properties of 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine?
3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine has a molecular weight of 334.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxy)-5-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)pyrazin-2-amine is sourced from PubChem (CID 165154466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).