(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

C18H20FN3 — CID 134265627

IUPAC(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESFc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1
InChIInChI=1S/C18H20FN3/c19-15-3-1-2-13(11-15)10-14-6-7-21-18-17(14)5-4-16-12-20-8-9-22(16)18/h1-3,6-7,11,16,20H,4-5,8-10,12H2/t16-/m1/s1
InChIKeyLXJQUSCIXJJMCJ-MRXNPFEDSA-N
MW297.38 g/mol
LogP2.54
Rot. Bonds2

About (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265627) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265627
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESFc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1
InChIInChI=1S/C18H20FN3/c19-15-3-1-2-13(11-15)10-14-6-7-21-18-17(14)5-4-16-12-20-8-9-22(16)18/h1-3,6-7,11,16,20H,4-5,8-10,12H2/t16-/m1/s1
InChIKeyLXJQUSCIXJJMCJ-MRXNPFEDSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265627) is (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is Fc1cccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)c1.
What is the InChIKey of (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is LXJQUSCIXJJMCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3/c19-15-3-1-2-13(11-15)10-14-6-7-21-18-17(14)5-4-16-12-20-8-9-22(16)18/h1-3,6-7,11,16,20H,4-5,8-10,12H2/t16-/m1/s1.
What are the key properties of (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
(6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 297.38 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-[(3-fluorophenyl)methyl]-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).