N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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

C36H46FN7O4 — CID 176923298

IUPACN-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(CC[C@H]3CNCCO3)CC4)C2)C1)C(C)C
InChIInChI=1S/C36H46FN7O4/c1-4-44(24(2)3)35(45)28-15-25(37)5-6-31(28)48-33-19-39-23-41-34(33)43-21-36(22-43)16-27(17-36)47-32-7-10-40-30-9-13-42(20-29(30)32)12-8-26-18-38-11-14-46-26/h5-7,10,15,19,23-24,26-27,38H,4,8-9,11-14,16-18,20-22H2,1-3H3/t26-/m0/s1
InChIKeyUWBFMUFHAYPXMF-SANMLTNESA-N
MW659.81 g/mol
LogP4.46
Rot. Bonds11

About N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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

N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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 (PubChem CID 176923298) has the molecular formula C36H46FN7O4 and a molecular weight of 659.81 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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
PubChem CID176923298
Molecular FormulaC36H46FN7O4
Molecular Weight659.81 g/mol
Exact Mass659.36
IUPAC NameN-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(CC[C@H]3CNCCO3)CC4)C2)C1)C(C)C
InChIInChI=1S/C36H46FN7O4/c1-4-44(24(2)3)35(45)28-15-25(37)5-6-31(28)48-33-19-39-23-41-34(33)43-21-36(22-43)16-27(17-36)47-32-7-10-40-30-9-13-42(20-29(30)32)12-8-26-18-38-11-14-46-26/h5-7,10,15,19,23-24,26-27,38H,4,8-9,11-14,16-18,20-22H2,1-3H3/t26-/m0/s1
InChIKeyUWBFMUFHAYPXMF-SANMLTNESA-N
XLogP4.46
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500659.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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 with MolForge

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Related Compounds

N-ethyl-5-fluoro-2-[4-[6-[[6-[[(2R)-morpholin-2-yl]methyl]-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;hydrochloride
CID 176925003
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
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
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-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
N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-2-methylpropyl)-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 176924380
N-ethyl-5-fluoro-2-[4-[6-[[6-[3-[(3R)-3-hydroxypyrrolidin-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-propan-2-ylbenzamide
CID 176923522
2-[4-[6-[[6-[3-(3-cyano-3-methylazetidin-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 176923998
N-ethyl-5-fluoro-2-[4-[6-[[6-[(1-methylpyrazol-3-yl)methyl]-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 176924697
N-ethyl-5-fluoro-2-[4-[6-[[6-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-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 176923464
N-ethyl-5-fluoro-2-[4-[4-[[6-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176924065
N-ethyl-5-fluoro-2-[4-[6-[[7-[4-(methylamino)butyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]oxy]-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 176924075

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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?
The IUPAC name of N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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 176923298) is N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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.
What is the SMILES notation for N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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?
The canonical SMILES for N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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 is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CC(Oc3ccnc4c3CN(CC[C@H]3CNCCO3)CC4)C2)C1)C(C)C.
What is the InChIKey of N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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?
The InChIKey is UWBFMUFHAYPXMF-SANMLTNESA-N. The full InChI is InChI=1S/C36H46FN7O4/c1-4-44(24(2)3)35(45)28-15-25(37)5-6-31(28)48-33-19-39-23-41-34(33)43-21-36(22-43)16-27(17-36)47-32-7-10-40-30-9-13-42(20-29(30)32)12-8-26-18-38-11-14-46-26/h5-7,10,15,19,23-24,26-27,38H,4,8-9,11-14,16-18,20-22H2,1-3H3/t26-/m0/s1.
What are the key properties of N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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?
N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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 has a molecular weight of 659.81 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-[4-[6-[[6-[2-[(2S)-morpholin-2-yl]ethyl]-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 is sourced from PubChem (CID 176923298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).