N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide

C207H191F6N45O18 — CID 161018378

IUPACN-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
SMILESC[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nccn21.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc2c1OCC(CO)n1ccnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C27H25FN6O2.C27H24FN5O2.C27H26FN5O2.C26H23FN6O2.C26H25FN6O2.C26H24FN5O3.C24H22N6O3.C24H22N6O2/c1-15-9-20(28)19(10-23(15)33-11-22(30-14-33)16-5-6-16)27(35)32-21-4-2-3-18-25(21)36-12-24(17-7-8-17)34-26(18)29-13-31-34;1-16-11-20(28)19(12-23(16)32-13-22(30-15-32)17-5-6-17)26(34)31-21-4-2-3-18-24(21)35-14-27(7-8-27)33-10-9-29-25(18)33;1-16-11-20(28)19(12-23(16)32-13-22(30-15-32)17-7-8-17)26(34)31-21-6-4-5-18-24(21)35-14-27(2,3)33-10-9-29-25(18)33;1-15-9-19(27)18(10-22(15)32-11-21(29-14-32)16-5-6-16)25(34)31-20-4-2-3-17-23(20)35-12-26(7-8-26)33-24(17)28-13-30-33;1-15-9-19(27)18(10-22(15)32-11-21(29-14-32)16-7-8-16)25(34)31-20-6-4-5-17-23(20)35-12-26(2,3)33-24(17)28-13-30-33;1-15-9-20(27)19(10-23(15)31-11-22(29-14-31)16-5-6-16)26(34)30-21-4-2-3-18-24(21)35-13-17(12-33)32-8-7-28-25(18)32;31-12-17-13-33-22-18(23-26-8-9-30(17)23)2-1-3-19(22)28-24(32)20-10-16(6-7-25-20)29-11-21(27-14-29)15-4-5-15;1-15-13-32-22-18(23-26-9-10-30(15)23)3-2-4-19(22)28-24(31)20-11-17(7-8-25-20)29-12-21(27-14-29)16-5-6-16/h2-4,9-11,13-14,16-17,24H,5-8,12H2,1H3,(H,32,35);2-4,9-13,15,17H,5-8,14H2,1H3,(H,31,34);4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,31,34);2-4,9-11,13-14,16H,5-8,12H2,1H3,(H,31,34);4-6,9-11,13-14,16H,7-8,12H2,1-3H3,(H,31,34);2-4,7-11,14,16-17,33H,5-6,12-13H2,1H3,(H,30,34);1-3,6-11,14-15,17,31H,4-5,12-13H2,(H,28,32);2-4,7-12,14-16H,5-6,13H2,1H3,(H,28,31)/t24-;;;;;17-;;15-/m0....0.1/s1
InChIKeyTYALNKFWMWSRNF-PODQKLESSA-N
MW3711.09 g/mol
LogP36.75
Rot. Bonds35

About N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide

N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide (PubChem CID 161018378) has the molecular formula C207H191F6N45O18 and a molecular weight of 3711.09 g/mol. Its IUPAC name is N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
PubChem CID161018378
Molecular FormulaC207H191F6N45O18
Molecular Weight3711.09 g/mol
Exact Mass3708.53
IUPAC NameN-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
SMILESC[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nccn21.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc2c1OCC(CO)n1ccnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1
InChIInChI=1S/C27H25FN6O2.C27H24FN5O2.C27H26FN5O2.C26H23FN6O2.C26H25FN6O2.C26H24FN5O3.C24H22N6O3.C24H22N6O2/c1-15-9-20(28)19(10-23(15)33-11-22(30-14-33)16-5-6-16)27(35)32-21-4-2-3-18-25(21)36-12-24(17-7-8-17)34-26(18)29-13-31-34;1-16-11-20(28)19(12-23(16)32-13-22(30-15-32)17-5-6-17)26(34)31-21-4-2-3-18-24(21)35-14-27(7-8-27)33-10-9-29-25(18)33;1-16-11-20(28)19(12-23(16)32-13-22(30-15-32)17-7-8-17)26(34)31-21-6-4-5-18-24(21)35-14-27(2,3)33-10-9-29-25(18)33;1-15-9-19(27)18(10-22(15)32-11-21(29-14-32)16-5-6-16)25(34)31-20-4-2-3-17-23(20)35-12-26(7-8-26)33-24(17)28-13-30-33;1-15-9-19(27)18(10-22(15)32-11-21(29-14-32)16-7-8-16)25(34)31-20-6-4-5-17-23(20)35-12-26(2,3)33-24(17)28-13-30-33;1-15-9-20(27)19(10-23(15)31-11-22(29-14-31)16-5-6-16)26(34)30-21-4-2-3-18-24(21)35-13-17(12-33)32-8-7-28-25(18)32;31-12-17-13-33-22-18(23-26-8-9-30(17)23)2-1-3-19(22)28-24(32)20-10-16(6-7-25-20)29-11-21(27-14-29)15-4-5-15;1-15-13-32-22-18(23-26-9-10-30(15)23)3-2-4-19(22)28-24(31)20-11-17(7-8-25-20)29-12-21(27-14-29)16-5-6-16/h2-4,9-11,13-14,16-17,24H,5-8,12H2,1H3,(H,32,35);2-4,9-13,15,17H,5-8,14H2,1H3,(H,31,34);4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,31,34);2-4,9-11,13-14,16H,5-8,12H2,1H3,(H,31,34);4-6,9-11,13-14,16H,7-8,12H2,1-3H3,(H,31,34);2-4,7-11,14,16-17,33H,5-6,12-13H2,1H3,(H,30,34);1-3,6-11,14-15,17,31H,4-5,12-13H2,(H,28,32);2-4,7-12,14-16H,5-6,13H2,1H3,(H,28,31)/t24-;;;;;17-;;15-/m0....0.1/s1
InChIKeyTYALNKFWMWSRNF-PODQKLESSA-N
XLogP36.75
TPSA696.67 Ų
H-Bond Donors10
H-Bond Acceptors55
Rotatable Bonds35
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003711.09
LogP ≤ 536.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1055

Analyze N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 161018383
4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 161018380
N-[(5R)-5-cyclopropyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide
CID 139581271
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581198
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(fluoromethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
CID 139581355
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[(5S)-5-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]benzamide;methane
CID 157263686
4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 139581298
[8-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-5-yl]methyl hypobromite
CID 153353105
4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-(fluoromethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;(5R)-5-(fluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-amine
CID 158048710
N-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]-4-(4-cyclopropylimidazol-1-yl)pyridine-2-carboxamide
CID 153439763
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[(6S)-6-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepin-8-yl]benzamide
CID 139581301
4-(4-cyclopropylimidazol-1-yl)-N-[5-(phenylmethoxymethyl)-5,6-dihydrotetrazolo[1,5-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide
CID 153439774

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide (CID 161018378) is N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide is C[C@@H]1COc2c(NC(=O)c3cc(-n4cnc(C5CC5)c4)ccn3)cccc2-c2nccn21.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC(C)(C)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OCC2(CC2)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@@H](C2CC2)n2ncnc2-3)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc2c1OCC(CO)n1ccnc1-2)c1cc(-n2cnc(C3CC3)c2)ccn1.
What is the InChIKey of N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
The InChIKey is TYALNKFWMWSRNF-PODQKLESSA-N. The full InChI is InChI=1S/C27H25FN6O2.C27H24FN5O2.C27H26FN5O2.C26H23FN6O2.C26H25FN6O2.C26H24FN5O3.C24H22N6O3.C24H22N6O2/c1-15-9-20(28)19(10-23(15)33-11-22(30-14-33)16-5-6-16)27(35)32-21-4-2-3-18-25(21)36-12-24(17-7-8-17)34-26(18)29-13-31-34;1-16-11-20(28)19(12-23(16)32-13-22(30-15-32)17-5-6-17)26(34)31-21-4-2-3-18-24(21)35-14-27(7-8-27)33-10-9-29-25(18)33;1-16-11-20(28)19(12-23(16)32-13-22(30-15-32)17-7-8-17)26(34)31-21-6-4-5-18-24(21)35-14-27(2,3)33-10-9-29-25(18)33;1-15-9-19(27)18(10-22(15)32-11-21(29-14-32)16-5-6-16)25(34)31-20-4-2-3-17-23(20)35-12-26(7-8-26)33-24(17)28-13-30-33;1-15-9-19(27)18(10-22(15)32-11-21(29-14-32)16-7-8-16)25(34)31-20-6-4-5-17-23(20)35-12-26(2,3)33-24(17)28-13-30-33;1-15-9-20(27)19(10-23(15)31-11-22(29-14-31)16-5-6-16)26(34)30-21-4-2-3-18-24(21)35-13-17(12-33)32-8-7-28-25(18)32;31-12-17-13-33-22-18(23-26-8-9-30(17)23)2-1-3-19(22)28-24(32)20-10-16(6-7-25-20)29-11-21(27-14-29)15-4-5-15;1-15-13-32-22-18(23-26-9-10-30(15)23)3-2-4-19(22)28-24(31)20-11-17(7-8-25-20)29-12-21(27-14-29)16-5-6-16/h2-4,9-11,13-14,16-17,24H,5-8,12H2,1H3,(H,32,35);2-4,9-13,15,17H,5-8,14H2,1H3,(H,31,34);4-6,9-13,15,17H,7-8,14H2,1-3H3,(H,31,34);2-4,9-11,13-14,16H,5-8,12H2,1H3,(H,31,34);4-6,9-11,13-14,16H,7-8,12H2,1-3H3,(H,31,34);2-4,7-11,14,16-17,33H,5-6,12-13H2,1H3,(H,30,34);1-3,6-11,14-15,17,31H,4-5,12-13H2,(H,28,32);2-4,7-12,14-16H,5-6,13H2,1H3,(H,28,31)/t24-;;;;;17-;;15-/m0....0.1/s1.
What are the key properties of N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide?
N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide has a molecular weight of 3711.09 g/mol, XLogP of 36.75, 35 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-cyclopropyl-5,6-dihydro-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-imidazo[1,2-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-N-(5,5-dimethyl-6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepin-8-yl)-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-imidazo[1,2-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-spiro[6H-[1,2,4]triazolo[1,5-d][1,4]benzoxazepine-5,1'-cyclopropane]-8-ylbenzamide;4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-N-[(5R)-5-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 161018378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).