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

C24H26FN5O2S — CID 26134384

IUPAC3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESO=C(c1cnsn1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C24H26FN5O2S/c25-19-6-4-5-17(13-19)20-14-18-16-29(24(32)21-15-26-33-27-21)10-7-22(18)30(23(20)31)12-11-28-8-2-1-3-9-28/h4-6,13-15H,1-3,7-12,16H2
InChIKeyULSYOCHAWRGXPM-UHFFFAOYSA-N
MW467.57 g/mol
LogP3.19
Rot. Bonds5

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

3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26134384) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26134384
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESO=C(c1cnsn1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C24H26FN5O2S/c25-19-6-4-5-17(13-19)20-14-18-16-29(24(32)21-15-26-33-27-21)10-7-22(18)30(23(20)31)12-11-28-8-2-1-3-9-28/h4-6,13-15H,1-3,7-12,16H2
InChIKeyULSYOCHAWRGXPM-UHFFFAOYSA-N
XLogP3.19
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26134384) is 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-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-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is O=C(c1cnsn1)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is ULSYOCHAWRGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c25-19-6-4-5-17(13-19)20-14-18-16-29(24(32)21-15-26-33-27-21)10-7-22(18)30(23(20)31)12-11-28-8-2-1-3-9-28/h4-6,13-15H,1-3,7-12,16H2.
What are the key properties of 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 467.57 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(2-piperidin-1-ylethyl)-6-(1,2,5-thiadiazole-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26134384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).