3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C25H27FN4O2S — CID 26145176

IUPAC3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESO=C(c1cncs1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C25H27FN4O2S/c26-20-6-4-5-18(13-20)21-14-19-16-29(25(32)23-15-27-17-33-23)10-7-22(19)30(24(21)31)12-11-28-8-2-1-3-9-28/h4-6,13-15,17H,1-3,7-12,16H2
InChIKeyUTMZZFSAUHLHBG-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.80
Rot. Bonds5

About 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26145176) has the molecular formula C25H27FN4O2S and a molecular weight of 466.58 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26145176
Molecular FormulaC25H27FN4O2S
Molecular Weight466.58 g/mol
Exact Mass466.18
IUPAC Name3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESO=C(c1cncs1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C25H27FN4O2S/c26-20-6-4-5-18(13-20)21-14-19-16-29(25(32)23-15-27-17-33-23)10-7-22(19)30(24(21)31)12-11-28-8-2-1-3-9-28/h4-6,13-15,17H,1-3,7-12,16H2
InChIKeyUTMZZFSAUHLHBG-UHFFFAOYSA-N
XLogP3.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26145176) is 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is O=C(c1cncs1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is UTMZZFSAUHLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2S/c26-20-6-4-5-18(13-20)21-14-19-16-29(25(32)23-15-27-17-33-23)10-7-22(19)30(24(21)31)12-11-28-8-2-1-3-9-28/h4-6,13-15,17H,1-3,7-12,16H2.
What are the key properties of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 466.58 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,3-thiazole-5-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26145176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).