7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C25H29F3N4O2 — CID 58579420

IUPAC7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCCOc1cnc2ccc(=O)n(CCN3CCC(CCc4ccc(C(F)(F)F)nc4)CC3)c2c1
InChIInChI=1S/C25H29F3N4O2/c1-2-34-20-15-22-21(29-17-20)6-8-24(33)32(22)14-13-31-11-9-18(10-12-31)3-4-19-5-7-23(30-16-19)25(26,27)28/h5-8,15-18H,2-4,9-14H2,1H3
InChIKeyRAPBZGAHGBTKBO-UHFFFAOYSA-N
MW474.53 g/mol
LogP4.55
Rot. Bonds8

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

7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 58579420) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID58579420
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCCOc1cnc2ccc(=O)n(CCN3CCC(CCc4ccc(C(F)(F)F)nc4)CC3)c2c1
InChIInChI=1S/C25H29F3N4O2/c1-2-34-20-15-22-21(29-17-20)6-8-24(33)32(22)14-13-31-11-9-18(10-12-31)3-4-19-5-7-23(30-16-19)25(26,27)28/h5-8,15-18H,2-4,9-14H2,1H3
InChIKeyRAPBZGAHGBTKBO-UHFFFAOYSA-N
XLogP4.55
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 58579420) is 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is CCOc1cnc2ccc(=O)n(CCN3CCC(CCc4ccc(C(F)(F)F)nc4)CC3)c2c1.
What is the InChIKey of 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is RAPBZGAHGBTKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c1-2-34-20-15-22-21(29-17-20)6-8-24(33)32(22)14-13-31-11-9-18(10-12-31)3-4-19-5-7-23(30-16-19)25(26,27)28/h5-8,15-18H,2-4,9-14H2,1H3.
What are the key properties of 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 474.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-[2-[4-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).