4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine

C21H25N3O — CID 176923932

IUPAC4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1ccc(CN2CCc3nccc(OC4CC5(CNC5)C4)c3C2)cc1
InChIInChI=1S/C21H25N3O/c1-2-4-16(5-3-1)12-24-9-7-19-18(13-24)20(6-8-23-19)25-17-10-21(11-17)14-22-15-21/h1-6,8,17,22H,7,9-15H2
InChIKeyULDIJBHSIXURTH-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.77
Rot. Bonds4

About 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine

4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 176923932) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID176923932
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESc1ccc(CN2CCc3nccc(OC4CC5(CNC5)C4)c3C2)cc1
InChIInChI=1S/C21H25N3O/c1-2-4-16(5-3-1)12-24-9-7-19-18(13-24)20(6-8-23-19)25-17-10-21(11-17)14-22-15-21/h1-6,8,17,22H,7,9-15H2
InChIKeyULDIJBHSIXURTH-UHFFFAOYSA-N
XLogP2.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane
CID 176924412
ethane;methyl 2-[4-[6-[(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-5-fluorobenzoate
CID 176924463
2-[[5-[6-[(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]-3-chloro-1,2,4-triazin-6-yl]oxy]-5-fluoro-N,N-di(propan-2-yl)benzamide
CID 176923246
[2-[[5-[6-[(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]-3-chloro-1,2,4-triazin-6-yl]oxy]-5-fluorophenyl]-(3-methylmorpholin-4-yl)methanone;ethane
CID 176924560
2-[4-[6-[(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-yl-N-pyridin-4-ylbenzamide
CID 176925258
2-[[5-[6-[(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]-3-chloro-1,2,4-triazin-6-yl]oxy]-N-(3,3-difluoro-1-methylcyclobutyl)-5-fluoro-N-propan-2-ylbenzamide
CID 176924018
6-benzyl-4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 59447643
7-benzyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 67386428
6-[3-[4-[[2-(1,2,4-triazin-5-yl)-2-azaspiro[3.3]heptan-6-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-1-oxa-6-azaspiro[3.3]heptane
CID 176925130
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide
CID 143298615
2-benzyl-2,6-diazaspiro[3.3]heptane;hydrochloride
CID 57416961

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine (CID 176923932) is 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine is c1ccc(CN2CCc3nccc(OC4CC5(CNC5)C4)c3C2)cc1.
What is the InChIKey of 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is ULDIJBHSIXURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-4-16(5-3-1)12-24-9-7-19-18(13-24)20(6-8-23-19)25-17-10-21(11-17)14-22-15-21/h1-6,8,17,22H,7,9-15H2.
What are the key properties of 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine?
4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 335.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 176923932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).