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

C25H33N7O2 — CID 176925130

IUPAC6-[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
SMILESc1nncc(N2CC3(CC(Oc4ccnc5c4CN(CCCN4CC6(CCO6)C4)CC5)C3)C2)n1
InChIInChI=1S/C25H33N7O2/c1(7-31-16-25(17-31)4-9-33-25)6-30-8-3-21-20(13-30)22(2-5-26-21)34-19-10-24(11-19)14-32(15-24)23-12-28-29-18-27-23/h2,5,12,18-19H,1,3-4,6-11,13-17H2
InChIKeyYMXWULIHNDCEAQ-UHFFFAOYSA-N
MW463.59 g/mol
LogP1.54
Rot. Bonds7

About 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

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 (PubChem CID 176925130) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID176925130
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Name6-[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
SMILESc1nncc(N2CC3(CC(Oc4ccnc5c4CN(CCCN4CC6(CCO6)C4)CC5)C3)C2)n1
InChIInChI=1S/C25H33N7O2/c1(7-31-16-25(17-31)4-9-33-25)6-30-8-3-21-20(13-30)22(2-5-26-21)34-19-10-24(11-19)14-32(15-24)23-12-28-29-18-27-23/h2,5,12,18-19H,1,3-4,6-11,13-17H2
InChIKeyYMXWULIHNDCEAQ-UHFFFAOYSA-N
XLogP1.54
TPSA79.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
N-ethyl-5-fluoro-2-[4-[6-[[6-[3-(1-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]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176924318
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
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
4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
CID 176923932
N-butan-2-yl-2-[[5-[4-[[6-[3-(5,8-dioxa-2-azaspiro[3.5]nonan-2-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluorobenzamide
CID 176923655
N-ethyl-5-fluoro-2-[4-[6-[[6-(2-morpholin-4-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176924339
2-[4-[6-[[6-[3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-1-yl]propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176924084
N-(2,2-difluoroethyl)-5-fluoro-2-[4-[6-[[6-[3-(1,3-oxazocan-3-yl)propyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176923888
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
ethane;N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[6-[(6-propyl-7,8-dihydro-5H-1,6-naphthyridin-4-yl)oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxybenzamide
CID 176923874

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1nncc(N2CC3(CC(Oc4ccnc5c4CN(CCCN4CC6(CCO6)C4)CC5)C3)C2)n1.
What is the InChIKey of 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?
The InChIKey is YMXWULIHNDCEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O2/c1(7-31-16-25(17-31)4-9-33-25)6-30-8-3-21-20(13-30)22(2-5-26-21)34-19-10-24(11-19)14-32(15-24)23-12-28-29-18-27-23/h2,5,12,18-19H,1,3-4,6-11,13-17H2.
What are the key properties of 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?
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 has a molecular weight of 463.59 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176925130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).