3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C25H28FN5O3 — CID 26223589

IUPAC3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1nonc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C25H28FN5O3/c1-17-23(28-34-27-17)25(33)30-11-8-22-19(16-30)15-21(18-6-5-7-20(26)14-18)24(32)31(22)13-12-29-9-3-2-4-10-29/h5-7,14-15H,2-4,8-13,16H2,1H3
InChIKeyFIJCDDVGSSKAQE-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.03
Rot. Bonds5

About 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26223589) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26223589
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1nonc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1
InChIInChI=1S/C25H28FN5O3/c1-17-23(28-34-27-17)25(33)30-11-8-22-19(16-30)15-21(18-6-5-7-20(26)14-18)24(32)31(22)13-12-29-9-3-2-4-10-29/h5-7,14-15H,2-4,8-13,16H2,1H3
InChIKeyFIJCDDVGSSKAQE-UHFFFAOYSA-N
XLogP3.03
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-[2-[(2-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 579737
3-(3-fluorophenyl)-1-[2-(1-piperidinyl)ethyl]-6-(1,2,5-thiadiazol-3-ylcarbonyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 26134384
N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-[2-(trifluoromethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126466410
4-amino-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2975557
4-amino-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 3118894
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16673635
4-{[4-(3-Fluorobenzoyl)piperazin-1-yl]carbonyl}-1,2,5-oxadiazol-3-amine
CID 20895388
N-(2-(2,4-difluorophenyl)-1-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}ethyl)-N-methylpropanamide
CID 45182543
6-[(2'-fluoro-3-biphenylyl)carbonyl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-6-azaspiro[2.5]octane-1-carboxamide
CID 45212602
4-fluoro-N-({1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-piperidinyl}methyl)benzamide
CID 45226099
7-(3,4-Difluorobenzyl)-2-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 45251888
6-(4-Fluorophenyl)-2-[[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 46958877

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26223589) is 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cc1nonc1C(=O)N1CCc2c(cc(-c3cccc(F)c3)c(=O)n2CCN2CCCCC2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is FIJCDDVGSSKAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-17-23(28-34-27-17)25(33)30-11-8-22-19(16-30)15-21(18-6-5-7-20(26)14-18)24(32)31(22)13-12-29-9-3-2-4-10-29/h5-7,14-15H,2-4,8-13,16H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 465.53 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).