(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C102H98N16O8 — CID 159448213

About (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 159448213) has the molecular formula C102H98N16O8 and a molecular weight of 1676.01 g/mol. Its IUPAC name is (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

• Compound Name: (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
• PubChem CID: 159448213
• Molecular Formula: C102H98N16O8
• Molecular Weight: 1676.01 g/mol
• Exact Mass: 1674.78
• IUPAC Name: (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
• SMILES: CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4ccccc4)c3)c2N1.CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cccnc4)c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cn(C)nc4c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnn([C@H](C)c4ccccc4)c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3)c2O1
• InChI: InChI=1S/C23H21N3O2.C22H20N4O2.C21H22N4O.C18H18N4O.C18H17NO2/c1-15-13-21(27)26-20-12-6-11-19(22(20)24-15)23(28)25-18-10-5-9-17(14-18)16-7-3-2-4-8-16;1-14-11-20(27)26-19-9-3-8-18(21(19)24-14)22(28)25-17-7-2-5-15(12-17)16-6-4-10-23-13-16;1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16;1-11-8-17(23)20-15-5-3-4-14(18(15)19-11)12-6-7-13-10-22(2)21-16(13)9-12;1-13-12-17(20)19-16-9-5-8-15(18(16)21-13)11-10-14-6-3-2-4-7-14/h2-12,14-15,24H,13H2,1H3,(H,25,28)(H,26,27);2-10,12-14,24H,11H2,1H3,(H,25,28)(H,26,27);3-10,12-15,23H,11H2,1-2H3,(H,24,26);3-7,9-11,19H,8H2,1-2H3,(H,20,23);2-11,13H,12H2,1H3,(H,19,20)/b;;;;11-10+/t;;14-,15-;11-;13-/m..111/s1
• InChIKey: LTAMGPIEGBTYLJ-CINHAQRESA-N
• XLogP: 20.54
• TPSA: 309.58 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1676.01
LogP ≤ 5	20.54
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

The IUPAC name of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 159448213) is (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

What is the SMILES notation for (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

The canonical SMILES for (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4ccccc4)c3)c2N1.CC1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cccnc4)c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4cn(C)nc4c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnn([C@H](C)c4ccccc4)c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3)c2O1.

What is the InChIKey of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

The InChIKey is LTAMGPIEGBTYLJ-CINHAQRESA-N. The full InChI is InChI=1S/C23H21N3O2.C22H20N4O2.C21H22N4O.C18H18N4O.C18H17NO2/c1-15-13-21(27)26-20-12-6-11-19(22(20)24-15)23(28)25-18-10-5-9-17(14-18)16-7-3-2-4-8-16;1-14-11-20(27)26-19-9-3-8-18(21(19)24-14)22(28)25-17-7-2-5-15(12-17)16-6-4-10-23-13-16;1-14-11-20(26)24-19-10-6-9-18(21(19)23-14)17-12-22-25(13-17)15(2)16-7-4-3-5-8-16;1-11-8-17(23)20-15-5-3-4-14(18(15)19-11)12-6-7-13-10-22(2)21-16(13)9-12;1-13-12-17(20)19-16-9-5-8-15(18(16)21-13)11-10-14-6-3-2-4-7-14/h2-12,14-15,24H,13H2,1H3,(H,25,28)(H,26,27);2-10,12-14,24H,11H2,1H3,(H,25,28)(H,26,27);3-10,12-15,23H,11H2,1-2H3,(H,24,26);3-7,9-11,19H,8H2,1-2H3,(H,20,23);2-11,13H,12H2,1H3,(H,19,20)/b;;;;11-10+/t;;14-,15-;11-;13-/m..111/s1.

What are the key properties of (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

(4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 1676.01 g/mol, XLogP of 20.54, 12 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-methyl-6-(2-methylindazol-6-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-2-oxo-N-(3-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;4-methyl-2-oxo-N-(3-pyridin-3-ylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(2R)-2-methyl-9-[(E)-2-phenylethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one;(4R)-4-methyl-6-[1-[(1R)-1-phenylethyl]pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 159448213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).