5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride

C21H27Cl2N5O2 — CID 166597746

IUPAC5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
SMILESCc1ncc2c(c1-c1noc(C3CCCN(Cc4ccco4)C3)n1)CCNC2.Cl.Cl
InChIInChI=1S/C21H25N5O2.2ClH/c1-14-19(18-6-7-22-10-16(18)11-23-14)20-24-21(28-25-20)15-4-2-8-26(12-15)13-17-5-3-9-27-17;;/h3,5,9,11,15,22H,2,4,6-8,10,12-13H2,1H3;2*1H
InChIKeyJKZYVSNSCNQPOG-UHFFFAOYSA-N
MW452.39 g/mol
LogP3.90
Rot. Bonds4

About 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride

5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride (PubChem CID 166597746) has the molecular formula C21H27Cl2N5O2 and a molecular weight of 452.39 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
PubChem CID166597746
Molecular FormulaC21H27Cl2N5O2
Molecular Weight452.39 g/mol
Exact Mass451.15
IUPAC Name5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
SMILESCc1ncc2c(c1-c1noc(C3CCCN(Cc4ccco4)C3)n1)CCNC2.Cl.Cl
InChIInChI=1S/C21H25N5O2.2ClH/c1-14-19(18-6-7-22-10-16(18)11-23-14)20-24-21(28-25-20)15-4-2-8-26(12-15)13-17-5-3-9-27-17;;/h3,5,9,11,15,22H,2,4,6-8,10,12-13H2,1H3;2*1H
InChIKeyJKZYVSNSCNQPOG-UHFFFAOYSA-N
XLogP3.90
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride with MolForge

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Related Compounds

5-(azocan-1-ylmethyl)-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride
CID 166597715
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
5-cyclohex-3-en-1-yl-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 45247859
3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-5-(2-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 166597730
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
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
5-[[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole
CID 45210947
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
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
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
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 50973299

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride (CID 166597746) is 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride is Cc1ncc2c(c1-c1noc(C3CCCN(Cc4ccco4)C3)n1)CCNC2.Cl.Cl.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is JKZYVSNSCNQPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2.2ClH/c1-14-19(18-6-7-22-10-16(18)11-23-14)20-24-21(28-25-20)15-4-2-8-26(12-15)13-17-5-3-9-27-17;;/h3,5,9,11,15,22H,2,4,6-8,10,12-13H2,1H3;2*1H.
What are the key properties of 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride?
5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 452.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)piperidin-3-yl]-3-(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 166597746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).