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

C36H48FN7O4 — CID 176924065

IUPACN-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(Oc2ccnc3c2CN(CC[C@H]2CN(C)CCO2)CC3)CC1)C(C)C
InChIInChI=1S/C36H48FN7O4/c1-5-44(25(2)3)36(45)29-20-26(37)6-7-32(29)48-34-21-38-24-40-35(34)43-16-10-27(11-17-43)47-33-8-13-39-31-12-15-42(23-30(31)33)14-9-28-22-41(4)18-19-46-28/h6-8,13,20-21,24-25,27-28H,5,9-12,14-19,22-23H2,1-4H3/t28-/m0/s1
InChIKeyAEHBGRBYJRIROB-NDEPHWFRSA-N
MW661.82 g/mol
LogP4.80
Rot. Bonds11

About 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

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 (PubChem CID 176924065) has the molecular formula C36H48FN7O4 and a molecular weight of 661.82 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID176924065
Molecular FormulaC36H48FN7O4
Molecular Weight661.82 g/mol
Exact Mass661.38
IUPAC NameN-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
SMILESCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(Oc2ccnc3c2CN(CC[C@H]2CN(C)CCO2)CC3)CC1)C(C)C
InChIInChI=1S/C36H48FN7O4/c1-5-44(25(2)3)36(45)29-20-26(37)6-7-32(29)48-34-21-38-24-40-35(34)43-16-10-27(11-17-43)47-33-8-13-39-31-12-15-42(23-30(31)33)14-9-28-22-41(4)18-19-46-28/h6-8,13,20-21,24-25,27-28H,5,9-12,14-19,22-23H2,1-4H3/t28-/m0/s1
InChIKeyAEHBGRBYJRIROB-NDEPHWFRSA-N
XLogP4.80
TPSA96.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500661.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

tert-butyl (2S)-2-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]morpholine-4-carboxylate
CID 176923339
tert-butyl 2-[3-[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 176924808
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
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
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-[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
tert-butyl 4-[[4-[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]pyrazole-1-carboxylate
CID 176923567
2-[[5-[4-[[6-(3-chloropropyl)-7,8-dihydro-5H-1,6-naphthyridin-4-yl]oxy]piperidin-1-yl]-1,2,4-triazin-6-yl]oxy]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 176923199
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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(Oc2ccnc3c2CN(CC[C@H]2CN(C)CCO2)CC3)CC1)C(C)C.
What is the InChIKey of 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?
The InChIKey is AEHBGRBYJRIROB-NDEPHWFRSA-N. The full InChI is InChI=1S/C36H48FN7O4/c1-5-44(25(2)3)36(45)29-20-26(37)6-7-32(29)48-34-21-38-24-40-35(34)43-16-10-27(11-17-43)47-33-8-13-39-31-12-15-42(23-30(31)33)14-9-28-22-41(4)18-19-46-28/h6-8,13,20-21,24-25,27-28H,5,9-12,14-19,22-23H2,1-4H3/t28-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 661.82 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176924065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).