(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

C20H17F3N4O2 — CID 58072049

IUPAC(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H17F3N4O2/c1-11(13-7-18(28)26-10-13)29-19-14-3-2-6-24-16(14)8-15(27-19)12-4-5-17(25-9-12)20(21,22)23/h2-6,8-9,11,13H,7,10H2,1H3,(H,26,28)/t11-,13-/m1/s1
InChIKeyCBHSFFFACDABJE-DGCLKSJQSA-N
MW402.38 g/mol
LogP3.61
Rot. Bonds4

About (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 58072049) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
PubChem CID58072049
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C20H17F3N4O2/c1-11(13-7-18(28)26-10-13)29-19-14-3-2-6-24-16(14)8-15(27-19)12-4-5-17(25-9-12)20(21,22)23/h2-6,8-9,11,13H,7,10H2,1H3,(H,26,28)/t11-,13-/m1/s1
InChIKeyCBHSFFFACDABJE-DGCLKSJQSA-N
XLogP3.61
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one (CID 58072049) is (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is C[C@@H](Oc1nc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is CBHSFFFACDABJE-DGCLKSJQSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-11(13-7-18(28)26-10-13)29-19-14-3-2-6-24-16(14)8-15(27-19)12-4-5-17(25-9-12)20(21,22)23/h2-6,8-9,11,13H,7,10H2,1H3,(H,26,28)/t11-,13-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 402.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 58072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).