tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate

C41H59BrN4O8 — CID 175699564

IUPACtert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1Br.COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1C1CC1
InChIInChI=1S/C22H32N2O4.C19H27BrN2O4/c1-21(2,3)28-20(25)24-13-22(14-24)11-9-16(10-12-22)27-18-8-7-17(15-5-6-15)19(23-18)26-4;1-18(2,3)26-17(23)22-11-19(12-22)9-7-13(8-10-19)25-15-6-5-14(20)16(21-15)24-4/h7-8,15-16H,5-6,9-14H2,1-4H3;5-6,13H,7-12H2,1-4H3
InChIKeyKQZDTDUKPKGMQL-UHFFFAOYSA-N
MW815.85 g/mol
LogP8.94
Rot. Bonds7

About tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate (PubChem CID 175699564) has the molecular formula C41H59BrN4O8 and a molecular weight of 815.85 g/mol. Its IUPAC name is tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate
PubChem CID175699564
Molecular FormulaC41H59BrN4O8
Molecular Weight815.85 g/mol
Exact Mass814.35
IUPAC Nametert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate
SMILESCOc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1Br.COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1C1CC1
InChIInChI=1S/C22H32N2O4.C19H27BrN2O4/c1-21(2,3)28-20(25)24-13-22(14-24)11-9-16(10-12-22)27-18-8-7-17(15-5-6-15)19(23-18)26-4;1-18(2,3)26-17(23)22-11-19(12-22)9-7-13(8-10-19)25-15-6-5-14(20)16(21-15)24-4/h7-8,15-16H,5-6,9-14H2,1-4H3;5-6,13H,7-12H2,1-4H3
InChIKeyKQZDTDUKPKGMQL-UHFFFAOYSA-N
XLogP8.94
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.85
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218688
tert-butyl 7-methoxy-2-azaspiro[3.5]nonane-2-carboxylate
CID 144515725
[7-[(5-ethyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
CID 164710079
tert-butyl 3-(6-amino-2-methoxy-3-pyridinyl)pyrrolidine-1-carboxylate
CID 138571293
tert-butyl 4-(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)oxypiperidine-1-carboxylate
CID 118975176
tert-butyl 7-(bromomethyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 163218590
2-O-tert-butyl 7-O-(5-methoxy-2-pyridinyl) 2,7-diazaspiro[3.5]nonane-2,7-dicarboxylate
CID 90068547
tert-butyl 7-(4-methoxycyclohexyl)-2-azaspiro[3.5]nonane-2-carboxylate
CID 176982512
tert-butyl 7-[[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1-methylindazol-7-yl]amino]-2-azaspiro[3.5]nonane-2-carboxylate
CID 170432512
tert-butyl (2R)-4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 70277320
tert-butyl 3-(3-bromo-4-cyclopropylphenyl)azetidine-1-carboxylate
CID 172992190
tert-butyl 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-2-azaspiro[3.3]heptane-2-carboxylate
CID 162746030

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate (CID 175699564) is tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate is COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1Br.COc1nc(OC2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)ccc1C1CC1.
What is the InChIKey of tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate?
The InChIKey is KQZDTDUKPKGMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4.C19H27BrN2O4/c1-21(2,3)28-20(25)24-13-22(14-24)11-9-16(10-12-22)27-18-8-7-17(15-5-6-15)19(23-18)26-4;1-18(2,3)26-17(23)22-11-19(12-22)9-7-13(8-10-19)25-15-6-5-14(20)16(21-15)24-4/h7-8,15-16H,5-6,9-14H2,1-4H3;5-6,13H,7-12H2,1-4H3.
What are the key properties of tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate has a molecular weight of 815.85 g/mol, XLogP of 8.94, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(5-bromo-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[(5-cyclopropyl-6-methoxy-2-pyridinyl)oxy]-2-azaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 175699564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).