(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C138H144FN21O11S — CID 157454207

IUPAC(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCCn1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1.C[C@@H]1CC(=O)Cc2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccc(F)cc3)c2N1.C[C@@H]1CC(=O)Cc2cccc(-c3cccc(C(=O)NC4CC4)c3)c2N1.C[C@@H]1CC(=O)Cc2cccc(-c3cccc4nn(C)cc34)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc(N4CCCCC4)cc3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cc[nH]c4c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc(N)c(OCC4CC4)c3)c2N1
InChIInChI=1S/C25H21FN2O3S.C21H25N3O.C21H22N2O2.C19H22N4O2.C19H19N3O.C18H17N3O.C15H18N4O/c1-16-13-20(29)14-18-6-4-7-22(25(18)27-16)24-15-17-5-2-3-8-23(17)28(24)32(30,31)21-11-9-19(26)10-12-21;1-15-14-20(25)23-19-7-5-6-18(21(19)22-15)16-8-10-17(11-9-16)24-12-3-2-4-13-24;1-13-10-18(24)12-15-5-3-7-19(20(15)22-13)14-4-2-6-16(11-14)21(25)23-17-8-9-17;1-11-7-17(24)23-15-4-2-3-14(18(15)22-11)13-8-16(19(20)21-9-13)25-10-12-5-6-12;1-12-9-14(23)10-13-5-3-7-16(19(13)20-12)15-6-4-8-18-17(15)11-22(2)21-18;1-11-9-17(22)21-15-4-2-3-14(18(15)20-11)13-6-5-12-7-8-19-16(12)10-13;1-3-19-9-11(8-16-19)12-5-4-6-13-15(12)17-10(2)7-14(20)18-13/h2-12,15-16,27H,13-14H2,1H3;5-11,15,22H,2-4,12-14H2,1H3,(H,23,25);2-7,11,13,17,22H,8-10,12H2,1H3,(H,23,25);2-4,8-9,11-12,22H,5-7,10H2,1H3,(H2,20,21)(H,23,24);3-8,11-12,20H,9-10H2,1-2H3;2-8,10-11,19-20H,9H2,1H3,(H,21,22);4-6,8-10,17H,3,7H2,1-2H3,(H,18,20)/t16-;15-;13-;11-;12-;11-;10-/m1111111/s1
InChIKeyBTDSSUHIZOWUJN-BXUYXQJXSA-N
MW2323.87 g/mol
LogP26.56
Rot. Bonds16

About (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 157454207) has the molecular formula C138H144FN21O11S and a molecular weight of 2323.87 g/mol. Its IUPAC name is (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID157454207
Molecular FormulaC138H144FN21O11S
Molecular Weight2323.87 g/mol
Exact Mass2322.11
IUPAC Name(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCCn1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1.C[C@@H]1CC(=O)Cc2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccc(F)cc3)c2N1.C[C@@H]1CC(=O)Cc2cccc(-c3cccc(C(=O)NC4CC4)c3)c2N1.C[C@@H]1CC(=O)Cc2cccc(-c3cccc4nn(C)cc34)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc(N4CCCCC4)cc3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cc[nH]c4c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc(N)c(OCC4CC4)c3)c2N1
InChIInChI=1S/C25H21FN2O3S.C21H25N3O.C21H22N2O2.C19H22N4O2.C19H19N3O.C18H17N3O.C15H18N4O/c1-16-13-20(29)14-18-6-4-7-22(25(18)27-16)24-15-17-5-2-3-8-23(17)28(24)32(30,31)21-11-9-19(26)10-12-21;1-15-14-20(25)23-19-7-5-6-18(21(19)22-15)16-8-10-17(11-9-16)24-12-3-2-4-13-24;1-13-10-18(24)12-15-5-3-7-19(20(15)22-13)14-4-2-6-16(11-14)21(25)23-17-8-9-17;1-11-7-17(24)23-15-4-2-3-14(18(15)22-11)13-8-16(19(20)21-9-13)25-10-12-5-6-12;1-12-9-14(23)10-13-5-3-7-16(19(13)20-12)15-6-4-8-18-17(15)11-22(2)21-18;1-11-9-17(22)21-15-4-2-3-14(18(15)20-11)13-6-5-12-7-8-19-16(12)10-13;1-3-19-9-11(8-16-19)12-5-4-6-13-15(12)17-10(2)7-14(20)18-13/h2-12,15-16,27H,13-14H2,1H3;5-11,15,22H,2-4,12-14H2,1H3,(H,23,25);2-7,11,13,17,22H,8-10,12H2,1H3,(H,23,25);2-4,8-9,11-12,22H,5-7,10H2,1H3,(H2,20,21)(H,23,24);3-8,11-12,20H,9-10H2,1-2H3;2-8,10-11,19-20H,9H2,1H3,(H,21,22);4-6,8-10,17H,3,7H2,1-2H3,(H,18,20)/t16-;15-;13-;11-;12-;11-;10-/m1111111/s1
InChIKeyBTDSSUHIZOWUJN-BXUYXQJXSA-N
XLogP26.56
TPSA422.80 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002323.87
LogP ≤ 526.56
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Analyze (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine
CID 157058764
(4R)-6-(6-amino-5-propan-2-yloxy-3-pyridinyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-4-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide;(4R)-6-(6-methoxy-3-pyridinyl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-methyl-2,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(2-oxo-1,3-dihydroindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide
CID 157135465
5-tert-butyl-1,3-dihydroindol-2-one;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;N-cyclopropyl-4-propan-2-ylbenzamide;1,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;N-(4-propan-2-ylphenyl)methanesulfonamide;1-(4-propan-2-ylphenyl)propan-1-one
CID 158413846
5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methyl-2,3-dihydroindole;2-tert-butyl-3-methyl-1H-indole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;1,6-dimethyl-5-propan-2-ylindazole;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-3H-indol-2-one;1-(4-propan-2-ylphenyl)piperidine
CID 158608433
N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;1,6-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;3-[(E)-3-methylbut-1-enyl]pyridine;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;propan-2-yloxymethylcyclopropane;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
CID 158686242
N-benzhydryl-2-methylpropanamide;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;1-tert-butyl-4-(methoxymethyl)benzene;N-tert-butyl-2-(3-methylbut-1-enyl)benzenesulfonamide;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,7-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 158795512
tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylsulfonylindazole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 158847614
N-benzhydryl-2-methylpropanamide;tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;3-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butan-2-one;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 158920438
N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;1-tert-butyl-4-(methoxymethyl)benzene;2-tert-butyl-3-methyl-1H-indole;tert-butyl 3-(3-propan-2-ylphenyl)propanoate;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)pyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-(5-propan-2-yloxy-3-pyridinyl)propanamide;3-(propan-2-yloxymethyl)pyridine;1-(4-propan-2-ylphenyl)propan-1-one
CID 159014429
1-(benzenesulfonyl)-2-propan-2-ylindole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;2-methoxy-5-propan-2-ylpyridine;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;[(Z)-4-methylpent-2-en-2-yl]benzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 159042742
tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;N-tert-butyl-2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2-tert-butyl-1-(4-fluorophenyl)sulfonyl-1H-indene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;2,4-dimethyl-5-propan-2-ylindazole;2,6-dimethyl-5-propan-2-ylindazole;1,4-di(propan-2-yl)pyrazole;1-ethyl-4-propan-2-ylpyrazole;N-[2-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;1-(4-propan-2-ylphenyl)piperidine
CID 159080704
(4R)-6-(3-benzyl-1-methylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(2-ethoxyethyl)indol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;N-methyl-3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzamide;(4R)-4-methyl-6-(6-morpholin-4-yl-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;3-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]benzenesulfonamide;(4R)-4-methyl-6-(6-phenylmethoxy-3-pyridinyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 159498420

Frequently Asked Questions

What is the IUPAC name of (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 157454207) is (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CCn1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1.C[C@@H]1CC(=O)Cc2cccc(-c3cc4ccccc4n3S(=O)(=O)c3ccc(F)cc3)c2N1.C[C@@H]1CC(=O)Cc2cccc(-c3cccc(C(=O)NC4CC4)c3)c2N1.C[C@@H]1CC(=O)Cc2cccc(-c3cccc4nn(C)cc34)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc(N4CCCCC4)cc3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cc[nH]c4c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc(N)c(OCC4CC4)c3)c2N1.
What is the InChIKey of (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is BTDSSUHIZOWUJN-BXUYXQJXSA-N. The full InChI is InChI=1S/C25H21FN2O3S.C21H25N3O.C21H22N2O2.C19H22N4O2.C19H19N3O.C18H17N3O.C15H18N4O/c1-16-13-20(29)14-18-6-4-7-22(25(18)27-16)24-15-17-5-2-3-8-23(17)28(24)32(30,31)21-11-9-19(26)10-12-21;1-15-14-20(25)23-19-7-5-6-18(21(19)22-15)16-8-10-17(11-9-16)24-12-3-2-4-13-24;1-13-10-18(24)12-15-5-3-7-19(20(15)22-13)14-4-2-6-16(11-14)21(25)23-17-8-9-17;1-11-7-17(24)23-15-4-2-3-14(18(15)22-11)13-8-16(19(20)21-9-13)25-10-12-5-6-12;1-12-9-14(23)10-13-5-3-7-16(19(13)20-12)15-6-4-8-18-17(15)11-22(2)21-18;1-11-9-17(22)21-15-4-2-3-14(18(15)20-11)13-6-5-12-7-8-19-16(12)10-13;1-3-19-9-11(8-16-19)12-5-4-6-13-15(12)17-10(2)7-14(20)18-13/h2-12,15-16,27H,13-14H2,1H3;5-11,15,22H,2-4,12-14H2,1H3,(H,23,25);2-7,11,13,17,22H,8-10,12H2,1H3,(H,23,25);2-4,8-9,11-12,22H,5-7,10H2,1H3,(H2,20,21)(H,23,24);3-8,11-12,20H,9-10H2,1-2H3;2-8,10-11,19-20H,9H2,1H3,(H,21,22);4-6,8-10,17H,3,7H2,1-2H3,(H,18,20)/t16-;15-;13-;11-;12-;11-;10-/m1111111/s1.
What are the key properties of (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 2323.87 g/mol, XLogP of 26.56, 16 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-[6-amino-5-(cyclopropylmethoxy)-3-pyridinyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;N-cyclopropyl-3-[(2R)-2-methyl-4-oxo-1,2,3,5-tetrahydro-1-benzazepin-9-yl]benzamide;(4R)-6-(1-ethylpyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-9-[1-(4-fluorophenyl)sulfonylindol-2-yl]-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-6-(1H-indol-6-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(2-methylindazol-4-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(4-piperidin-1-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 157454207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).