(4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C118H132N16O10 — CID 158365275

IUPAC(4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCCCc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.CC[C@@H](NC(=O)c1cccc2c1N[C@H](C)CC(=O)N2)c1ccccc1.C[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2N1.C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2N1.Cc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.Cc1c(-c2cccc3c2N[C@H](C)CC(=O)N3)cnn1C(C)C
InChIInChI=1S/C23H26N2O.C21H22N2O.C20H21N3O3.C20H23N3O2.C17H22N4O.C17H18N2O2/c1-4-8-19-18-10-5-6-12-21(18)25(3)23(19)20-11-7-9-16-14-17(26)13-15(2)24-22(16)20;1-13-11-16(24)12-15-7-6-9-18(20(15)22-13)21-14(2)17-8-4-5-10-19(17)23(21)3;1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17;1-3-16(14-8-5-4-6-9-14)23-20(25)15-10-7-11-17-19(15)21-13(2)12-18(24)22-17;1-10(2)21-12(4)14(9-18-21)13-6-5-7-15-17(13)19-11(3)8-16(22)20-15;1-12-9-17(20)19-15-8-7-14(10-16(15)18-12)21-11-13-5-3-2-4-6-13/h5-7,9-12,15,24H,4,8,13-14H2,1-3H3;4-10,13,22H,11-12H2,1-3H3;2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25);4-11,13,16,21H,3,12H2,1-2H3,(H,22,24)(H,23,25);5-7,9-11,19H,8H2,1-4H3,(H,20,22);2-8,10,12,18H,9,11H2,1H3,(H,19,20)/t15-;13-;12-,15-;13-,16-;11-;12-/m111111/s1
InChIKeyGTYNQXRXCSSSAQ-ROKRUHGBSA-N
MW1934.46 g/mol
LogP23.37
Rot. Bonds15

About (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 158365275) has the molecular formula C118H132N16O10 and a molecular weight of 1934.46 g/mol. Its IUPAC name is (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID158365275
Molecular FormulaC118H132N16O10
Molecular Weight1934.46 g/mol
Exact Mass1933.03
IUPAC Name(4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESCCCc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.CC[C@@H](NC(=O)c1cccc2c1N[C@H](C)CC(=O)N2)c1ccccc1.C[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2N1.C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2N1.Cc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.Cc1c(-c2cccc3c2N[C@H](C)CC(=O)N3)cnn1C(C)C
InChIInChI=1S/C23H26N2O.C21H22N2O.C20H21N3O3.C20H23N3O2.C17H22N4O.C17H18N2O2/c1-4-8-19-18-10-5-6-12-21(18)25(3)23(19)20-11-7-9-16-14-17(26)13-15(2)24-22(16)20;1-13-11-16(24)12-15-7-6-9-18(20(15)22-13)21-14(2)17-8-4-5-10-19(17)23(21)3;1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17;1-3-16(14-8-5-4-6-9-14)23-20(25)15-10-7-11-17-19(15)21-13(2)12-18(24)22-17;1-10(2)21-12(4)14(9-18-21)13-6-5-7-15-17(13)19-11(3)8-16(22)20-15;1-12-9-17(20)19-15-8-7-14(10-16(15)18-12)21-11-13-5-3-2-4-6-13/h5-7,9-12,15,24H,4,8,13-14H2,1-3H3;4-10,13,22H,11-12H2,1-3H3;2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25);4-11,13,16,21H,3,12H2,1-2H3,(H,22,24)(H,23,25);5-7,9-11,19H,8H2,1-4H3,(H,20,22);2-8,10,12,18H,9,11H2,1H3,(H,19,20)/t15-;13-;12-,15-;13-,16-;11-;12-/m111111/s1
InChIKeyGTYNQXRXCSSSAQ-ROKRUHGBSA-N
XLogP23.37
TPSA327.06 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.46
LogP ≤ 523.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Analyze (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 158365275) is (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CCCc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.CC[C@@H](NC(=O)c1cccc2c1N[C@H](C)CC(=O)N2)c1ccccc1.C[C@@H]1CC(=O)Nc2ccc(OCc3ccccc3)cc2N1.C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2N1.Cc1c(-c2cccc3c2N[C@H](C)CC(=O)C3)n(C)c2ccccc12.Cc1c(-c2cccc3c2N[C@H](C)CC(=O)N3)cnn1C(C)C.
What is the InChIKey of (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is GTYNQXRXCSSSAQ-ROKRUHGBSA-N. The full InChI is InChI=1S/C23H26N2O.C21H22N2O.C20H21N3O3.C20H23N3O2.C17H22N4O.C17H18N2O2/c1-4-8-19-18-10-5-6-12-21(18)25(3)23(19)20-11-7-9-16-14-17(26)13-15(2)24-22(16)20;1-13-11-16(24)12-15-7-6-9-18(20(15)22-13)21-14(2)17-8-4-5-10-19(17)23(21)3;1-12-11-18(24)22-16-7-4-6-14(19(16)21-12)20(25)23-15-9-10-26-17-8-3-2-5-13(15)17;1-3-16(14-8-5-4-6-9-14)23-20(25)15-10-7-11-17-19(15)21-13(2)12-18(24)22-17;1-10(2)21-12(4)14(9-18-21)13-6-5-7-15-17(13)19-11(3)8-16(22)20-15;1-12-9-17(20)19-15-8-7-14(10-16(15)18-12)21-11-13-5-3-2-4-6-13/h5-7,9-12,15,24H,4,8,13-14H2,1-3H3;4-10,13,22H,11-12H2,1-3H3;2-8,12,15,21H,9-11H2,1H3,(H,22,24)(H,23,25);4-11,13,16,21H,3,12H2,1-2H3,(H,22,24)(H,23,25);5-7,9-11,19H,8H2,1-4H3,(H,20,22);2-8,10,12,18H,9,11H2,1H3,(H,19,20)/t15-;13-;12-,15-;13-,16-;11-;12-/m111111/s1.
What are the key properties of (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 1934.46 g/mol, XLogP of 23.37, 15 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-9-(1,3-dimethylindol-2-yl)-2-methyl-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-6-(5-methyl-1-propan-2-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(2R)-2-methyl-9-(1-methyl-3-propylindol-2-yl)-1,2,3,5-tetrahydro-1-benzazepin-4-one;(4R)-4-methyl-2-oxo-N-[(1R)-1-phenylpropyl]-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-7-phenylmethoxy-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 158365275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).