(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

C20H16F3N3O2 — CID 58072029

IUPAC(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](COc2nc(-c3ccc(C(F)(F)F)cc3)cc3ncccc23)CN1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-5-3-13(4-6-14)16-9-17-15(2-1-7-24-17)19(26-16)28-11-12-8-18(27)25-10-12/h1-7,9,12H,8,10-11H2,(H,25,27)/t12-/m1/s1
InChIKeyVQFWVFLJYSXTBW-GFCCVEGCSA-N
MW387.36 g/mol
LogP3.83
Rot. Bonds4

About (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one

(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 58072029) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
PubChem CID58072029
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](COc2nc(-c3ccc(C(F)(F)F)cc3)cc3ncccc23)CN1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)14-5-3-13(4-6-14)16-9-17-15(2-1-7-24-17)19(26-16)28-11-12-8-18(27)25-10-12/h1-7,9,12H,8,10-11H2,(H,25,27)/t12-/m1/s1
InChIKeyVQFWVFLJYSXTBW-GFCCVEGCSA-N
XLogP3.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one (CID 58072029) is (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is O=C1C[C@@H](COc2nc(-c3ccc(C(F)(F)F)cc3)cc3ncccc23)CN1.
What is the InChIKey of (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is VQFWVFLJYSXTBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)14-5-3-13(4-6-14)16-9-17-15(2-1-7-24-17)19(26-16)28-11-12-8-18(27)25-10-12/h1-7,9,12H,8,10-11H2,(H,25,27)/t12-/m1/s1.
What are the key properties of (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one?
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 387.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).