(4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one

C150H177F2N25O16S — CID 157345214

About (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one

(4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one (PubChem CID 157345214) has the molecular formula C150H177F2N25O16S and a molecular weight of 2656.29 g/mol. Its IUPAC name is (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one.

Molecular Properties

• Compound Name: (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one
• PubChem CID: 157345214
• Molecular Formula: C150H177F2N25O16S
• Molecular Weight: 2656.29 g/mol
• Exact Mass: 2654.35
• IUPAC Name: (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one
• SMILES: C#CC[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCC(=O)C(C)[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCC(=O)C[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOCC3C2CCCCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CS(C)(=O)=O)ccc1-n1cnc(C)c1.COc1cc(C2CN(Cc3ccccc3)CC23CCCN2C3=NOC[C@@H]2c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C35H37F2N5O2.C25H32N4O2.C24H30N4O3.C23H28N4O3.C22H24N4O2.C21H26N4O4S/c1-23-17-41(22-38-23)31-11-10-26(16-33(31)43-3)28-19-40(18-25-8-5-4-6-9-25)21-35(28)12-7-13-42-32(20-44-39-34(35)42)27-14-29(36)24(2)30(37)15-27;1-18-15-28(17-26-18)22-11-10-19(14-24(22)30-2)13-21-9-6-12-29-23(16-31-27-25(21)29)20-7-4-3-5-8-20;1-5-22(29)17(3)21-14-31-26-24-19(7-6-10-28(21)24)11-18-8-9-20(23(12-18)30-4)27-13-16(2)25-15-27;1-4-20(28)12-19-14-30-25-23-18(6-5-9-27(19)23)10-17-7-8-21(22(11-17)29-3)26-13-16(2)24-15-26;1-4-6-19-14-28-24-22-18(7-5-10-26(19)22)11-17-8-9-20(21(12-17)27-3)25-13-16(2)23-15-25;1-15-11-24(14-22-15)19-7-6-16(10-20(19)28-2)9-17-5-4-8-25-18(13-30(3,26)27)12-29-23-21(17)25/h4-6,8-11,14-17,22,28,32H,7,12-13,18-21H2,1-3H3;10-11,13-15,17,20,23H,3-9,12,16H2,1-2H3;8-9,11-13,15,17,21H,5-7,10,14H2,1-4H3;7-8,10-11,13,15,19H,4-6,9,12,14H2,1-3H3;1,8-9,11-13,15,19H,5-7,10,14H2,2-3H3;6-7,9-11,14,18H,4-5,8,12-13H2,1-3H3/b;21-13+;19-11+;18-10+;18-11+;17-9+/t28?,32-,35?;;17?,21-;2*19-;18-/m1.1001/s1
• InChIKey: BGWMVKLMPZRYDH-BKDKGCMSSA-N
• XLogP: 25.08
• TPSA: 382.80 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2656.29
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one?

The IUPAC name of (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one (CID 157345214) is (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one.

What is the SMILES notation for (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one?

The canonical SMILES for (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one is C#CC[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCC(=O)C(C)[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.CCC(=O)C[C@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN21.COc1cc(/C=C2\CCCN3C2=NOCC3C2CCCCC2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CS(C)(=O)=O)ccc1-n1cnc(C)c1.COc1cc(C2CN(Cc3ccccc3)CC23CCCN2C3=NOC[C@@H]2c2cc(F)c(C)c(F)c2)ccc1-n1cnc(C)c1.

What is the InChIKey of (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one?

The InChIKey is BGWMVKLMPZRYDH-BKDKGCMSSA-N. The full InChI is InChI=1S/C35H37F2N5O2.C25H32N4O2.C24H30N4O3.C23H28N4O3.C22H24N4O2.C21H26N4O4S/c1-23-17-41(22-38-23)31-11-10-26(16-33(31)43-3)28-19-40(18-25-8-5-4-6-9-25)21-35(28)12-7-13-42-32(20-44-39-34(35)42)27-14-29(36)24(2)30(37)15-27;1-18-15-28(17-26-18)22-11-10-19(14-24(22)30-2)13-21-9-6-12-29-23(16-31-27-25(21)29)20-7-4-3-5-8-20;1-5-22(29)17(3)21-14-31-26-24-19(7-6-10-28(21)24)11-18-8-9-20(23(12-18)30-4)27-13-16(2)25-15-27;1-4-20(28)12-19-14-30-25-23-18(6-5-9-27(19)23)10-17-7-8-21(22(11-17)29-3)26-13-16(2)24-15-26;1-4-6-19-14-28-24-22-18(7-5-10-26(19)22)11-17-8-9-20(21(12-17)27-3)25-13-16(2)23-15-25;1-15-11-24(14-22-15)19-7-6-16(10-20(19)28-2)9-17-5-4-8-25-18(13-30(3,26)27)12-29-23-21(17)25/h4-6,8-11,14-17,22,28,32H,7,12-13,18-21H2,1-3H3;10-11,13-15,17,20,23H,3-9,12,16H2,1-2H3;8-9,11-13,15,17,21H,5-7,10,14H2,1-4H3;7-8,10-11,13,15,19H,4-6,9,12,14H2,1-3H3;1,8-9,11-13,15,19H,5-7,10,14H2,2-3H3;6-7,9-11,14,18H,4-5,8,12-13H2,1-3H3/b;21-13+;19-11+;18-10+;18-11+;17-9+/t28?,32-,35?;;17?,21-;2*19-;18-/m1.1001/s1.

What are the key properties of (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one?

(4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one has a molecular weight of 2656.29 g/mol, XLogP of 25.08, 31 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1'-benzyl-4-(3,5-difluoro-4-methylphenyl)-4'-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]spiro[4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-9,3'-pyrrolidine];(9E)-4-cyclohexyl-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4R,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(methylsulfonylmethyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-prop-2-ynyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;1-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]butan-2-one;2-[(4S,9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]pentan-3-one is sourced from PubChem (CID 157345214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).