(6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline

C17H24FN3 — CID 57126142

IUPAC(6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline
SMILESFc1cccnc1N1CCN2C[C@H]3CCCC[C@H]3C[C@H]2C1
InChIInChI=1S/C17H24FN3/c18-16-6-3-7-19-17(16)21-9-8-20-11-14-5-2-1-4-13(14)10-15(20)12-21/h3,6-7,13-15H,1-2,4-5,8-12H2/t13-,14+,15-/m0/s1
InChIKeyLGWFPTLMABRPOT-ZNMIVQPWSA-N
MW289.40 g/mol
LogP2.92
Rot. Bonds1

About (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline

(6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline (PubChem CID 57126142) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline.

Molecular Properties

Compound Name(6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline
PubChem CID57126142
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC Name(6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline
SMILESFc1cccnc1N1CCN2C[C@H]3CCCC[C@H]3C[C@H]2C1
InChIInChI=1S/C17H24FN3/c18-16-6-3-7-19-17(16)21-9-8-20-11-14-5-2-1-4-13(14)10-15(20)12-21/h3,6-7,13-15H,1-2,4-5,8-12H2/t13-,14+,15-/m0/s1
InChIKeyLGWFPTLMABRPOT-ZNMIVQPWSA-N
XLogP2.92
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline with MolForge

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Related Compounds

4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301
[(3S)-1-(3-fluoro-2-pyridinyl)piperidin-3-yl]methanol
CID 94573932
2-(3-bromopyrrolidin-1-yl)-3-fluoropyridine
CID 80666888
2-(3-chloro-4-methylpiperidin-1-yl)-3-fluoropyridine
CID 102960811
2-(3-fluoro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 127437089
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N-methylmethanamine
CID 79925344
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 127310250
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419

Frequently Asked Questions

What is the IUPAC name of (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline?
The IUPAC name of (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline (CID 57126142) is (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline.
What is the SMILES notation for (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline?
The canonical SMILES for (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline is Fc1cccnc1N1CCN2C[C@H]3CCCC[C@H]3C[C@H]2C1.
What is the InChIKey of (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline?
The InChIKey is LGWFPTLMABRPOT-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H24FN3/c18-16-6-3-7-19-17(16)21-9-8-20-11-14-5-2-1-4-13(14)10-15(20)12-21/h3,6-7,13-15H,1-2,4-5,8-12H2/t13-,14+,15-/m0/s1.
What are the key properties of (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline?
(6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline has a molecular weight of 289.40 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aS,11aS)-2-(3-fluoro-2-pyridinyl)-1,3,4,6,6a,7,8,9,10,10a,11,11a-dodecahydropyrazino[1,2-b]isoquinoline is sourced from PubChem (CID 57126142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).