(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile

C15H18F2N4 — CID 167172974

IUPAC(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
SMILESCC(C)N1CCN2c3ncc(C#N)cc3C(F)(F)C[C@H]2C1
InChIInChI=1S/C15H18F2N4/c1-10(2)20-3-4-21-12(9-20)6-15(16,17)13-5-11(7-18)8-19-14(13)21/h5,8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyWSTLSGYYJCBULF-LBPRGKRZSA-N
MW292.33 g/mol
LogP2.35
Rot. Bonds1

About (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile

(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile (PubChem CID 167172974) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
PubChem CID167172974
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile
SMILESCC(C)N1CCN2c3ncc(C#N)cc3C(F)(F)C[C@H]2C1
InChIInChI=1S/C15H18F2N4/c1-10(2)20-3-4-21-12(9-20)6-15(16,17)13-5-11(7-18)8-19-14(13)21/h5,8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1
InChIKeyWSTLSGYYJCBULF-LBPRGKRZSA-N
XLogP2.35
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile?
The IUPAC name of (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) is (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile.
What is the SMILES notation for (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile?
The canonical SMILES for (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile is CC(C)N1CCN2c3ncc(C#N)cc3C(F)(F)C[C@H]2C1.
What is the InChIKey of (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile?
The InChIKey is WSTLSGYYJCBULF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-10(2)20-3-4-21-12(9-20)6-15(16,17)13-5-11(7-18)8-19-14(13)21/h5,8,10,12H,3-4,6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile?
(6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile has a molecular weight of 292.33 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-5,5-difluoro-8-propan-2-yl-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridine-3-carbonitrile is sourced from PubChem (CID 167172974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).