5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine

C16H22FN3 — CID 167173033

IUPAC5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine
SMILESC=CC1(F)CC2CN(C(C)C)CCN2c2ncccc21
InChIInChI=1S/C16H22FN3/c1-4-16(17)10-13-11-19(12(2)3)8-9-20(13)15-14(16)6-5-7-18-15/h4-7,12-13H,1,8-11H2,2-3H3
InChIKeyZAURGWFBFOAYTM-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.74
Rot. Bonds2

About 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine

5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 167173033) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID167173033
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine
SMILESC=CC1(F)CC2CN(C(C)C)CCN2c2ncccc21
InChIInChI=1S/C16H22FN3/c1-4-16(17)10-13-11-19(12(2)3)8-9-20(13)15-14(16)6-5-7-18-15/h4-7,12-13H,1,8-11H2,2-3H3
InChIKeyZAURGWFBFOAYTM-UHFFFAOYSA-N
XLogP2.74
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(10S)-12-propan-2-yl-8-thia-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167173746
(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
CID 167172974
(6aR)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
CID 167172987
(11S)-13-propan-2-yl-8-thia-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167173682
(9R)-11-propan-2-yl-8-oxa-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 167173149
8,8-difluoro-12-propan-2-yl-5-(trifluoromethyl)-1,3,6,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene
CID 167172880
N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine
CID 167173026
5-(3,3-difluoroazetidin-1-yl)-13-propan-2-yl-8-oxa-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167173621
(10S)-8-methyl-12-propan-2-yl-5-(trifluoromethyl)-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 171587525
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
(9R,11R)-9-methyl-13-propan-2-yl-5-(trifluoromethyl)-8-oxa-1,3,13-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene
CID 167173172
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine (CID 167173033) is 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine is C=CC1(F)CC2CN(C(C)C)CCN2c2ncccc21.
What is the InChIKey of 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is ZAURGWFBFOAYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-16(17)10-13-11-19(12(2)3)8-9-20(13)15-14(16)6-5-7-18-15/h4-7,12-13H,1,8-11H2,2-3H3.
What are the key properties of 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine?
5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 275.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-fluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 167173033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).