2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C23H20F3N5O2 — CID 24735130

IUPAC2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1C2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)19-7-6-16-17(28-19)8-10-27-20(16)29-12-13-30-18(14-29)21(32)31(22(30)33)11-9-15-4-2-1-3-5-15/h1-8,10,18H,9,11-14H2
InChIKeyKCMNSAYMFIIADD-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 24735130) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID24735130
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1C2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1
InChIInChI=1S/C23H20F3N5O2/c24-23(25,26)19-7-6-16-17(28-19)8-10-27-20(16)29-12-13-30-18(14-29)21(32)31(22(30)33)11-9-15-4-2-1-3-5-15/h1-8,10,18H,9,11-14H2
InChIKeyKCMNSAYMFIIADD-UHFFFAOYSA-N
XLogP3.34
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 24735130) is 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C1C2CN(c3nccc4nc(C(F)(F)F)ccc34)CCN2C(=O)N1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is KCMNSAYMFIIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c24-23(25,26)19-7-6-16-17(28-19)8-10-27-20(16)29-12-13-30-18(14-29)21(32)31(22(30)33)11-9-15-4-2-1-3-5-15/h1-8,10,18H,9,11-14H2.
What are the key properties of 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 455.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 24735130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).