6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine

C24H24FN5O — CID 166092678

IUPAC6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine
SMILESC=C1NCCc2cc(-c3nc(-c4ccc(N5CCOCC5)cc4)c(F)nc3N)ccc21
InChIInChI=1S/C24H24FN5O/c1-15-20-7-4-18(14-17(20)8-9-27-15)22-24(26)29-23(25)21(28-22)16-2-5-19(6-3-16)30-10-12-31-13-11-30/h2-7,14,27H,1,8-13H2,(H2,26,29)
InChIKeyFMAAMTHMFOPRGT-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.48
Rot. Bonds3

About 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine

6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine (PubChem CID 166092678) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine
PubChem CID166092678
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine
SMILESC=C1NCCc2cc(-c3nc(-c4ccc(N5CCOCC5)cc4)c(F)nc3N)ccc21
InChIInChI=1S/C24H24FN5O/c1-15-20-7-4-18(14-17(20)8-9-27-15)22-24(26)29-23(25)21(28-22)16-2-5-19(6-3-16)30-10-12-31-13-11-30/h2-7,14,27H,1,8-13H2,(H2,26,29)
InChIKeyFMAAMTHMFOPRGT-UHFFFAOYSA-N
XLogP3.48
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
The IUPAC name of 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine (CID 166092678) is 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
The canonical SMILES for 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine is C=C1NCCc2cc(-c3nc(-c4ccc(N5CCOCC5)cc4)c(F)nc3N)ccc21.
What is the InChIKey of 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
The InChIKey is FMAAMTHMFOPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-15-20-7-4-18(14-17(20)8-9-27-15)22-24(26)29-23(25)21(28-22)16-2-5-19(6-3-16)30-10-12-31-13-11-30/h2-7,14,27H,1,8-13H2,(H2,26,29).
What are the key properties of 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine?
6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine has a molecular weight of 417.49 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1-methylidene-3,4-dihydro-2H-isoquinolin-6-yl)-5-(4-morpholin-4-ylphenyl)pyrazin-2-amine is sourced from PubChem (CID 166092678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).