4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine

C31H38FN7O2 — CID 176924660

IUPAC4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cc(F)ccc1Oc1nncnc1N1CC2(CC(Oc3ccnc4c3CN(C(C)C3CN(C)C3)CC4)C2)C1
InChIInChI=1S/C31H38FN7O2/c1-4-21-11-23(32)5-6-27(21)41-30-29(34-19-35-36-30)39-17-31(18-39)12-24(13-31)40-28-7-9-33-26-8-10-38(16-25(26)28)20(2)22-14-37(3)15-22/h5-7,9,11,19-20,22,24H,4,8,10,12-18H2,1-3H3
InChIKeyHKWUMBBALNVPBA-UHFFFAOYSA-N
MW559.69 g/mol
LogP4.12
Rot. Bonds8

About 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine

4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 176924660) has the molecular formula C31H38FN7O2 and a molecular weight of 559.69 g/mol. Its IUPAC name is 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID176924660
Molecular FormulaC31H38FN7O2
Molecular Weight559.69 g/mol
Exact Mass559.31
IUPAC Name4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cc(F)ccc1Oc1nncnc1N1CC2(CC(Oc3ccnc4c3CN(C(C)C3CN(C)C3)CC4)C2)C1
InChIInChI=1S/C31H38FN7O2/c1-4-21-11-23(32)5-6-27(21)41-30-29(34-19-35-36-30)39-17-31(18-39)12-24(13-31)40-28-7-9-33-26-8-10-38(16-25(26)28)20(2)22-14-37(3)15-22/h5-7,9,11,19-20,22,24H,4,8,10,12-18H2,1-3H3
InChIKeyHKWUMBBALNVPBA-UHFFFAOYSA-N
XLogP4.12
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.69
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine with MolForge

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Related Compounds

N-ethyl-N-methylpropan-2-amine;5-fluoro-2-[4-[6-[[6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzaldehyde
CID 176924094
N-(2,2-difluoroethyl)-5-fluoro-2-[[5-[6-[[6-[(1-methylazetidin-3-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176923931
N-ethyl-5-fluoro-2-[[5-[6-[[6-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176925319
N-ethyl-5-fluoro-2-[[5-[4-[[6-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-propan-2-ylbenzamide
CID 176924742
5-fluoro-2-[[5-[6-[[6-[3-(5-oxa-2-azaspiro[3.4]octan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N,N-di(propan-2-yl)benzamide
CID 176925431
2-[[5-[6-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-5-fluorobenzaldehyde
CID 176923573
2-[[5-[6-[[6-[2-(1,4-dioxan-2-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176924980
2-[[5-[6-[[6-(azetidin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-5-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 176923192
2-[[5-[6-[[6-(azetidin-3-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-5-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 176924432
2-[[5-[6-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-5-fluorobenzaldehyde;N-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 176923572
tert-butyl 4-[[2-[6-[2-[(3,3-difluorocyclobutyl)-propan-2-ylcarbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 176923284
2-[[5-[6-(1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-f][1,6]naphthyridin-11-yloxy)-2-azaspiro[3.3]heptan-2-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176924175

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 176924660) is 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine is CCc1cc(F)ccc1Oc1nncnc1N1CC2(CC(Oc3ccnc4c3CN(C(C)C3CN(C)C3)CC4)C2)C1.
What is the InChIKey of 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is HKWUMBBALNVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN7O2/c1-4-21-11-23(32)5-6-27(21)41-30-29(34-19-35-36-30)39-17-31(18-39)12-24(13-31)40-28-7-9-33-26-8-10-38(16-25(26)28)20(2)22-14-37(3)15-22/h5-7,9,11,19-20,22,24H,4,8,10,12-18H2,1-3H3.
What are the key properties of 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 559.69 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-(2-ethyl-4-fluorophenoxy)-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-6-[1-(1-methylazetidin-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 176924660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).