3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane

C26H37N3O2 — CID 176924412

IUPAC3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane
SMILESCC.OCCCC1c2c(OC3CC4(CNC4)C3)ccnc2CCN1Cc1ccccc1
InChIInChI=1S/C24H31N3O2.C2H6/c28-12-4-7-21-23-20(9-11-27(21)15-18-5-2-1-3-6-18)26-10-8-22(23)29-19-13-24(14-19)16-25-17-24;1-2/h1-3,5-6,8,10,19,21,25,28H,4,7,9,11-17H2;1-2H3
InChIKeyFDSOWVVUZCNJCV-UHFFFAOYSA-N
MW423.60 g/mol
LogP4.11
Rot. Bonds7

About 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane

3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane (PubChem CID 176924412) has the molecular formula C26H37N3O2 and a molecular weight of 423.60 g/mol. Its IUPAC name is 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane.

Molecular Properties

Compound Name3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane
PubChem CID176924412
Molecular FormulaC26H37N3O2
Molecular Weight423.60 g/mol
Exact Mass423.29
IUPAC Name3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane
SMILESCC.OCCCC1c2c(OC3CC4(CNC4)C3)ccnc2CCN1Cc1ccccc1
InChIInChI=1S/C24H31N3O2.C2H6/c28-12-4-7-21-23-20(9-11-27(21)15-18-5-2-1-3-6-18)26-10-8-22(23)29-19-13-24(14-19)16-25-17-24;1-2/h1-3,5-6,8,10,19,21,25,28H,4,7,9,11-17H2;1-2H3
InChIKeyFDSOWVVUZCNJCV-UHFFFAOYSA-N
XLogP4.11
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.60
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane with MolForge

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Related Compounds

4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
CID 176923932
6-benzyl-4-[[2-(3,6-dichloro-1,2,4-triazin-5-yl)-2-azaspiro[3.3]heptan-6-yl]oxy]-5-[3-(difluoromethoxy)propyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 176924407
tert-butyl 5-(2-hydroxyethyl)-4-[(2-phenylmethoxycarbonyl-2-azaspiro[3.3]heptan-6-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176925224
2-[4-[4-[[6-benzyl-5-[3-(dimethylamino)-3-oxopropyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]pyrimidin-5-yl]oxy-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176923696
2-benzyl-1-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 101495867
CID 176924284
CID 176924284
7-benzyl-2,7-diazaspiro[3.5]nonane;ethane
CID 145233671
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
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
2-[4-[4-[(6-benzyl-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]piperidin-1-yl]pyrimidin-5-yl]oxy-N-(2,2-difluoroethyl)-5-fluoro-N-propan-2-ylbenzamide
CID 176923507
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-benzyl-1-(2-phenylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 102237020

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane?
The IUPAC name of 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) is 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane.
What is the SMILES notation for 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane?
The canonical SMILES for 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane is CC.OCCCC1c2c(OC3CC4(CNC4)C3)ccnc2CCN1Cc1ccccc1.
What is the InChIKey of 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane?
The InChIKey is FDSOWVVUZCNJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.C2H6/c28-12-4-7-21-23-20(9-11-27(21)15-18-5-2-1-3-6-18)26-10-8-22(23)29-19-13-24(14-19)16-25-17-24;1-2/h1-3,5-6,8,10,19,21,25,28H,4,7,9,11-17H2;1-2H3.
What are the key properties of 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane?
3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane has a molecular weight of 423.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane is sourced from PubChem (CID 176924412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).