1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one

C25H24FN5O3 — CID 121069458

IUPAC1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C25H24FN5O3/c1-3-30-14-20(21(32)19-11-6-15(2)27-22(19)30)25(33)31-12-4-5-17(13-31)24-29-28-23(34-24)16-7-9-18(26)10-8-16/h6-11,14,17H,3-5,12-13H2,1-2H3
InChIKeyLCGUVNPJUNIYJI-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.93
Rot. Bonds4

About 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one

1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 121069458) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID121069458
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C25H24FN5O3/c1-3-30-14-20(21(32)19-11-6-15(2)27-22(19)30)25(33)31-12-4-5-17(13-31)24-29-28-23(34-24)16-7-9-18(26)10-8-16/h6-11,14,17H,3-5,12-13H2,1-2H3
InChIKeyLCGUVNPJUNIYJI-UHFFFAOYSA-N
XLogP3.93
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one (CID 121069458) is 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CCCC(c3nnc(-c4ccc(F)cc4)o3)C2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is LCGUVNPJUNIYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-3-30-14-20(21(32)19-11-6-15(2)27-22(19)30)25(33)31-12-4-5-17(13-31)24-29-28-23(34-24)16-7-9-18(26)10-8-16/h6-11,14,17H,3-5,12-13H2,1-2H3.
What are the key properties of 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one?
1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 461.50 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 121069458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).