imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane

C17H22N4O2S — CID 177053080

IUPACimino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CC2(C1)CN(c1ccnc3c(OC)nccc13)C2
InChIInChI=1S/C17H22N4O2S/c1-23-16-15-13(3-5-20-16)14(4-6-19-15)21-10-17(11-21)7-12(8-17)9-24(2,18)22/h3-6,12,18H,7-11H2,1-2H3
InChIKeyFOVIKAAZAHNWOI-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.53
Rot. Bonds4

About imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane

imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane (PubChem CID 177053080) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane
PubChem CID177053080
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Nameimino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CC2(C1)CN(c1ccnc3c(OC)nccc13)C2
InChIInChI=1S/C17H22N4O2S/c1-23-16-15-13(3-5-20-16)14(4-6-19-15)21-10-17(11-21)7-12(8-17)9-24(2,18)22/h3-6,12,18H,7-11H2,1-2H3
InChIKeyFOVIKAAZAHNWOI-UHFFFAOYSA-N
XLogP2.53
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane (CID 177053080) is imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1CC2(C1)CN(c1ccnc3c(OC)nccc13)C2.
What is the InChIKey of imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane?
The InChIKey is FOVIKAAZAHNWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-23-16-15-13(3-5-20-16)14(4-6-19-15)21-10-17(11-21)7-12(8-17)9-24(2,18)22/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane?
imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane has a molecular weight of 346.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 177053080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).