N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide

C179H190F24N40O23 — CID 158089504

IUPACN-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide
SMILESCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(C(C)(C)O)cnc43)CC2)c2cccnc21.CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)c2cccnc21.CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(C(C)(C)O)cnc43)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21
InChIInChI=1S/C31H32F5N7O4.C31H36F2N6O5.C30H30F5N7O3.C30H34F2N6O4.C29H30F5N7O4.C28H28F5N7O3/c1-46-17-43-24-20(5-3-13-37-24)30(47-28(43)45)11-14-41(15-12-30)27(44)38-22-8-7-18(19-4-2-6-21(32)23(19)33)16-42-25(22)39-40-26(42)29(9-10-29)31(34,35)36;1-30(2,42)24-16-35-27-23(10-9-19(17-38(24)27)20-6-4-8-22(32)25(20)33)36-28(40)37-14-11-31(12-15-37)21-7-5-13-34-26(21)39(18-43-3)29(41)44-31;1-40-23-19(5-3-13-36-23)29(45-27(40)44)11-14-41(15-12-29)26(43)37-21-8-7-17(18-4-2-6-20(31)22(18)32)16-42-24(21)38-39-25(42)28(9-10-28)30(33,34)35;1-29(2,41)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-27(39)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36(3)28(40)42-30;1-44-16-41-24-19(5-3-11-35-24)28(45-27(41)43)9-12-39(13-10-28)26(42)36-21-8-7-17(18-4-2-6-20(30)23(18)31)15-40-22(14-29(32,33)34)37-38-25(21)40;1-38-23-18(5-3-11-34-23)27(43-26(38)42)9-12-39(13-10-27)25(41)35-20-8-7-16(17-4-2-6-19(29)22(17)30)15-40-21(14-28(31,32)33)36-37-24(20)40/h2-6,13,18,22H,7-12,14-17H2,1H3,(H,38,44);4-8,13,16,19,23,42H,9-12,14-15,17-18H2,1-3H3,(H,36,40);2-6,13,17,21H,7-12,14-16H2,1H3,(H,37,43);4-8,13,16,18,22,41H,9-12,14-15,17H2,1-3H3,(H,35,39);2-6,11,17,21H,7-10,12-16H2,1H3,(H,36,42);2-6,11,16,20H,7-10,12-15H2,1H3,(H,35,41)/t18-,22-;19-,23-;17-,21-;18-,22-;17-,21-;16-,20-/m111111/s1
InChIKeyFNXRBSBUZBDDMZ-NIBHJGGQSA-N
MW3725.70 g/mol
LogP30.13
Rot. Bonds24

About N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide

N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (PubChem CID 158089504) has the molecular formula C179H190F24N40O23 and a molecular weight of 3725.70 g/mol. Its IUPAC name is N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide.

Molecular Properties

Compound NameN-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide
PubChem CID158089504
Molecular FormulaC179H190F24N40O23
Molecular Weight3725.70 g/mol
Exact Mass3723.45
IUPAC NameN-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide
SMILESCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(C(C)(C)O)cnc43)CC2)c2cccnc21.CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)c2cccnc21.CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(C(C)(C)O)cnc43)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21
InChIInChI=1S/C31H32F5N7O4.C31H36F2N6O5.C30H30F5N7O3.C30H34F2N6O4.C29H30F5N7O4.C28H28F5N7O3/c1-46-17-43-24-20(5-3-13-37-24)30(47-28(43)45)11-14-41(15-12-30)27(44)38-22-8-7-18(19-4-2-6-21(32)23(19)33)16-42-25(22)39-40-26(42)29(9-10-29)31(34,35)36;1-30(2,42)24-16-35-27-23(10-9-19(17-38(24)27)20-6-4-8-22(32)25(20)33)36-28(40)37-14-11-31(12-15-37)21-7-5-13-34-26(21)39(18-43-3)29(41)44-31;1-40-23-19(5-3-13-36-23)29(45-27(40)44)11-14-41(15-12-29)26(43)37-21-8-7-17(18-4-2-6-20(31)22(18)32)16-42-24(21)38-39-25(42)28(9-10-28)30(33,34)35;1-29(2,41)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-27(39)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36(3)28(40)42-30;1-44-16-41-24-19(5-3-11-35-24)28(45-27(41)43)9-12-39(13-10-28)26(42)36-21-8-7-17(18-4-2-6-20(30)23(18)31)15-40-22(14-29(32,33)34)37-38-25(21)40;1-38-23-18(5-3-11-34-23)27(43-26(38)42)9-12-39(13-10-27)25(41)35-20-8-7-16(17-4-2-6-19(29)22(17)30)15-40-21(14-28(31,32)33)36-37-24(20)40/h2-6,13,18,22H,7-12,14-17H2,1H3,(H,38,44);4-8,13,16,19,23,42H,9-12,14-15,17-18H2,1-3H3,(H,36,40);2-6,13,17,21H,7-12,14-16H2,1H3,(H,37,43);4-8,13,16,18,22,41H,9-12,14-15,17H2,1-3H3,(H,35,39);2-6,11,17,21H,7-10,12-16H2,1H3,(H,36,42);2-6,11,16,20H,7-10,12-15H2,1H3,(H,35,41)/t18-,22-;19-,23-;17-,21-;18-,22-;17-,21-;16-,20-/m111111/s1
InChIKeyFNXRBSBUZBDDMZ-NIBHJGGQSA-N
XLogP30.13
TPSA675.25 Ų
H-Bond Donors8
H-Bond Acceptors45
Rotatable Bonds24
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003725.70
LogP ≤ 530.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1045

Analyze N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide?
The IUPAC name of N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (CID 158089504) is N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide.
What is the SMILES notation for N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide?
The canonical SMILES for N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide is CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(C(C)(C)O)cnc43)CC2)c2cccnc21.CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)c2cccnc21.CN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(C(C)(C)O)cnc43)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c(CC(F)(F)F)nnc43)CC2)c2cccnc21.COCN1C(=O)OC2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21.
What is the InChIKey of N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide?
The InChIKey is FNXRBSBUZBDDMZ-NIBHJGGQSA-N. The full InChI is InChI=1S/C31H32F5N7O4.C31H36F2N6O5.C30H30F5N7O3.C30H34F2N6O4.C29H30F5N7O4.C28H28F5N7O3/c1-46-17-43-24-20(5-3-13-37-24)30(47-28(43)45)11-14-41(15-12-30)27(44)38-22-8-7-18(19-4-2-6-21(32)23(19)33)16-42-25(22)39-40-26(42)29(9-10-29)31(34,35)36;1-30(2,42)24-16-35-27-23(10-9-19(17-38(24)27)20-6-4-8-22(32)25(20)33)36-28(40)37-14-11-31(12-15-37)21-7-5-13-34-26(21)39(18-43-3)29(41)44-31;1-40-23-19(5-3-13-36-23)29(45-27(40)44)11-14-41(15-12-29)26(43)37-21-8-7-17(18-4-2-6-20(31)22(18)32)16-42-24(21)38-39-25(42)28(9-10-28)30(33,34)35;1-29(2,41)23-16-34-26-22(10-9-18(17-38(23)26)19-6-4-8-21(31)24(19)32)35-27(39)37-14-11-30(12-15-37)20-7-5-13-33-25(20)36(3)28(40)42-30;1-44-16-41-24-19(5-3-11-35-24)28(45-27(41)43)9-12-39(13-10-28)26(42)36-21-8-7-17(18-4-2-6-20(30)23(18)31)15-40-22(14-29(32,33)34)37-38-25(21)40;1-38-23-18(5-3-11-34-23)27(43-26(38)42)9-12-39(13-10-27)25(41)35-20-8-7-16(17-4-2-6-19(29)22(17)30)15-40-21(14-28(31,32)33)36-37-24(20)40/h2-6,13,18,22H,7-12,14-17H2,1H3,(H,38,44);4-8,13,16,19,23,42H,9-12,14-15,17-18H2,1-3H3,(H,36,40);2-6,13,17,21H,7-12,14-16H2,1H3,(H,37,43);4-8,13,16,18,22,41H,9-12,14-15,17H2,1-3H3,(H,35,39);2-6,11,17,21H,7-10,12-16H2,1H3,(H,36,42);2-6,11,16,20H,7-10,12-15H2,1H3,(H,35,41)/t18-,22-;19-,23-;17-,21-;18-,22-;17-,21-;16-,20-/m111111/s1.
What are the key properties of N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide?
N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide has a molecular weight of 3725.70 g/mol, XLogP of 30.13, 24 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-(methoxymethyl)-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide;N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-1'-methyl-2'-oxospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide is sourced from PubChem (CID 158089504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).