methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate

C159H178F5N15O20 — CID 161011358

IUPACmethyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC[C@H]1N(c2cccc(-c3cc(C)ccc3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3C)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(C(F)(F)F)c3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(F)c3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(F)c3OCc3ccc4c(c3C)CCNCC4)n2)C[C@@H]2C[C@@]21C(=O)OC
InChIInChI=1S/C32H34F3N3O4.C32H36FN3O4.2C32H37N3O4.C31H34FN3O4/c1-19-12-20(13-21-10-11-36-15-24(19)21)17-42-29-23(6-4-7-25(29)32(33,34)35)26-8-5-9-28(37-26)38-16-22-14-31(22,30(39)41-3)27(38)18-40-2;1-20-22(11-10-21-12-14-34-15-13-24(20)21)18-40-30-25(6-4-7-26(30)33)27-8-5-9-29(35-27)36-17-23-16-32(23,31(37)39-3)28(36)19-38-2;1-20-8-11-28(39-18-23-10-9-22-16-33-13-12-25(22)21(23)2)26(14-20)27-6-5-7-30(34-27)35-17-24-15-32(24,31(36)38-4)29(35)19-37-3;1-20-8-9-28(39-18-22-13-21(2)26-16-33-11-10-23(26)14-22)25(12-20)27-6-5-7-30(34-27)35-17-24-15-32(24,31(36)38-4)29(35)19-37-3;1-19-12-20(13-21-10-11-33-15-24(19)21)17-39-29-23(6-4-7-25(29)32)26-8-5-9-28(34-26)35-16-22-14-31(22,30(36)38-3)27(35)18-37-2/h4-9,12-13,22,27,36H,10-11,14-18H2,1-3H3;4-11,23,28,34H,12-19H2,1-3H3;5-11,14,24,29,33H,12-13,15-19H2,1-4H3;5-9,12-14,24,29,33H,10-11,15-19H2,1-4H3;4-9,12-13,22,27,33H,10-11,14-18H2,1-3H3/t22-,27+,31+;23-,28+,32+;2*24-,29+,32+;22-,27+,31+/m00000/s1
InChIKeyTXDURSIEDNDJQI-BWEUDEGHSA-N
MW2714.25 g/mol
LogP23.44
Rot. Bonds40

About methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate

methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate (PubChem CID 161011358) has the molecular formula C159H178F5N15O20 and a molecular weight of 2714.25 g/mol. Its IUPAC name is methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate
PubChem CID161011358
Molecular FormulaC159H178F5N15O20
Molecular Weight2714.25 g/mol
Exact Mass2712.33
IUPAC Namemethyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate
SMILESCOC[C@H]1N(c2cccc(-c3cc(C)ccc3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3C)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(C(F)(F)F)c3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(F)c3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(F)c3OCc3ccc4c(c3C)CCNCC4)n2)C[C@@H]2C[C@@]21C(=O)OC
InChIInChI=1S/C32H34F3N3O4.C32H36FN3O4.2C32H37N3O4.C31H34FN3O4/c1-19-12-20(13-21-10-11-36-15-24(19)21)17-42-29-23(6-4-7-25(29)32(33,34)35)26-8-5-9-28(37-26)38-16-22-14-31(22,30(39)41-3)27(38)18-40-2;1-20-22(11-10-21-12-14-34-15-13-24(20)21)18-40-30-25(6-4-7-26(30)33)27-8-5-9-29(35-27)36-17-23-16-32(23,31(37)39-3)28(36)19-38-2;1-20-8-11-28(39-18-23-10-9-22-16-33-13-12-25(22)21(23)2)26(14-20)27-6-5-7-30(34-27)35-17-24-15-32(24,31(36)38-4)29(35)19-37-3;1-20-8-9-28(39-18-22-13-21(2)26-16-33-11-10-23(26)14-22)25(12-20)27-6-5-7-30(34-27)35-17-24-15-32(24,31(36)38-4)29(35)19-37-3;1-19-12-20(13-21-10-11-33-15-24(19)21)17-39-29-23(6-4-7-25(29)32)26-8-5-9-28(34-26)35-16-22-14-31(22,30(36)38-3)27(35)18-37-2/h4-9,12-13,22,27,36H,10-11,14-18H2,1-3H3;4-11,23,28,34H,12-19H2,1-3H3;5-11,14,24,29,33H,12-13,15-19H2,1-4H3;5-9,12-14,24,29,33H,10-11,15-19H2,1-4H3;4-9,12-13,22,27,33H,10-11,14-18H2,1-3H3/t22-,27+,31+;23-,28+,32+;2*24-,29+,32+;22-,27+,31+/m00000/s1
InChIKeyTXDURSIEDNDJQI-BWEUDEGHSA-N
XLogP23.44
TPSA364.60 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002714.25
LogP ≤ 523.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The IUPAC name of methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate (CID 161011358) is methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate is COC[C@H]1N(c2cccc(-c3cc(C)ccc3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cc(C)ccc3OCc3ccc4c(c3C)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(C(F)(F)F)c3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(F)c3OCc3cc(C)c4c(c3)CCNC4)n2)C[C@@H]2C[C@@]21C(=O)OC.COC[C@H]1N(c2cccc(-c3cccc(F)c3OCc3ccc4c(c3C)CCNCC4)n2)C[C@@H]2C[C@@]21C(=O)OC.
What is the InChIKey of methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate?
The InChIKey is TXDURSIEDNDJQI-BWEUDEGHSA-N. The full InChI is InChI=1S/C32H34F3N3O4.C32H36FN3O4.2C32H37N3O4.C31H34FN3O4/c1-19-12-20(13-21-10-11-36-15-24(19)21)17-42-29-23(6-4-7-25(29)32(33,34)35)26-8-5-9-28(37-26)38-16-22-14-31(22,30(39)41-3)27(38)18-40-2;1-20-22(11-10-21-12-14-34-15-13-24(20)21)18-40-30-25(6-4-7-26(30)33)27-8-5-9-29(35-27)36-17-23-16-32(23,31(37)39-3)28(36)19-38-2;1-20-8-11-28(39-18-23-10-9-22-16-33-13-12-25(22)21(23)2)26(14-20)27-6-5-7-30(34-27)35-17-24-15-32(24,31(36)38-4)29(35)19-37-3;1-20-8-9-28(39-18-22-13-21(2)26-16-33-11-10-23(26)14-22)25(12-20)27-6-5-7-30(34-27)35-17-24-15-32(24,31(36)38-4)29(35)19-37-3;1-19-12-20(13-21-10-11-33-15-24(19)21)17-39-29-23(6-4-7-25(29)32)26-8-5-9-28(34-26)35-16-22-14-31(22,30(36)38-3)27(35)18-37-2/h4-9,12-13,22,27,36H,10-11,14-18H2,1-3H3;4-11,23,28,34H,12-19H2,1-3H3;5-11,14,24,29,33H,12-13,15-19H2,1-4H3;5-9,12-14,24,29,33H,10-11,15-19H2,1-4H3;4-9,12-13,22,27,33H,10-11,14-18H2,1-3H3/t22-,27+,31+;23-,28+,32+;2*24-,29+,32+;22-,27+,31+/m00000/s1.
What are the key properties of methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate?
methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate has a molecular weight of 2714.25 g/mol, XLogP of 23.44, 40 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(6-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-3-[6-[3-fluoro-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-2-(methoxymethyl)-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[5-methyl-2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate;methyl (1R,2S,5R)-2-(methoxymethyl)-3-[6-[2-[(8-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methoxy]-3-(trifluoromethyl)phenyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-1-carboxylate is sourced from PubChem (CID 161011358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).