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

C23H21F3N4O2 — CID 146641085

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnc(C(F)(F)F)cc2ccn1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)20-13-16-7-10-30(22(31)18(16)14-27-20)12-11-29-8-5-15(6-9-29)21-17-3-1-2-4-19(17)32-28-21/h1-4,7,10,13-15H,5-6,8-9,11-12H2
InChIKeyHBMNQVFQLLXUMR-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.44
Rot. Bonds4

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

2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one (PubChem CID 146641085) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one
PubChem CID146641085
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnc(C(F)(F)F)cc2ccn1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C23H21F3N4O2/c24-23(25,26)20-13-16-7-10-30(22(31)18(16)14-27-20)12-11-29-8-5-15(6-9-29)21-17-3-1-2-4-19(17)32-28-21/h1-4,7,10,13-15H,5-6,8-9,11-12H2
InChIKeyHBMNQVFQLLXUMR-UHFFFAOYSA-N
XLogP4.44
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one (CID 146641085) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one is O=c1c2cnc(C(F)(F)F)cc2ccn1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one?
The InChIKey is HBMNQVFQLLXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-23(25,26)20-13-16-7-10-30(22(31)18(16)14-27-20)12-11-29-8-5-15(6-9-29)21-17-3-1-2-4-19(17)32-28-21/h1-4,7,10,13-15H,5-6,8-9,11-12H2.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one has a molecular weight of 442.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6-(trifluoromethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 146641085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).