5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride

C20H22ClFN4O — CID 166597798

IUPAC5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1ncc2c(c1-c1noc(CCCc3ccc(F)cc3)n1)CCNC2.Cl
InChIInChI=1S/C20H21FN4O.ClH/c1-13-19(17-9-10-22-11-15(17)12-23-13)20-24-18(26-25-20)4-2-3-14-5-7-16(21)8-6-14;/h5-8,12,22H,2-4,9-11H2,1H3;1H
InChIKeyIWKLBQPRYFWJBE-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.82
Rot. Bonds5

About 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride

5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 166597798) has the molecular formula C20H22ClFN4O and a molecular weight of 388.87 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID166597798
Molecular FormulaC20H22ClFN4O
Molecular Weight388.87 g/mol
Exact Mass388.15
IUPAC Name5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1ncc2c(c1-c1noc(CCCc3ccc(F)cc3)n1)CCNC2.Cl
InChIInChI=1S/C20H21FN4O.ClH/c1-13-19(17-9-10-22-11-15(17)12-23-13)20-24-18(26-25-20)4-2-3-14-5-7-16(21)8-6-14;/h5-8,12,22H,2-4,9-11H2,1H3;1H
InChIKeyIWKLBQPRYFWJBE-UHFFFAOYSA-N
XLogP3.82
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-[2-(3-methoxy-4-methylphenyl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 28739121
5-(azocan-1-ylmethyl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
CID 166597715
5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597758
5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
CID 166597784
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(2-pyrrolidin-1-ylethylsulfanylmethyl)-1,2,4-oxadiazole;dihydrochloride
CID 166597818
1-[4-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophen-2-yl]ethanone;hydrochloride
CID 166597725
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597832
3-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzoxazol-2-one;hydrochloride
CID 166597718
5-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 154889638
1-[4-[[3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophen-2-yl]ethanone
CID 29183415
5-[5-(methoxymethyl)thiophen-2-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 166597877
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(3-methylthiophen-2-yl)-1,2,4-oxadiazole
CID 56852090

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 166597798) is 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride is Cc1ncc2c(c1-c1noc(CCCc3ccc(F)cc3)n1)CCNC2.Cl.
What is the InChIKey of 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IWKLBQPRYFWJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O.ClH/c1-13-19(17-9-10-22-11-15(17)12-23-13)20-24-18(26-25-20)4-2-3-14-5-7-16(21)8-6-14;/h5-8,12,22H,2-4,9-11H2,1H3;1H.
What are the key properties of 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride?
5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 388.87 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)propyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 166597798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).