(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C116H118N22O11 — CID 158354362

About (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 158354362) has the molecular formula C116H118N22O11 and a molecular weight of 1996.36 g/mol. Its IUPAC name is (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

• Compound Name: (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
• PubChem CID: 158354362
• Molecular Formula: C116H118N22O11
• Molecular Weight: 1996.36 g/mol
• Exact Mass: 1994.94
• IUPAC Name: (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
• SMILES: C/C(=C\c1cccc2c1N[C@H](C)CC(=O)N2)c1ccccc1.CC(=O)Nc1cccc(/C=C/c2cccc3c2N[C@H](C)CC(=O)N3)c1.CCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc4c(c3)c(C3CC3)nn4C)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnn(-c4ccncc4)c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2N1
• InChI: InChI=1S/C20H21N5O.C20H18N4O3.C20H21N3O2.C19H21N3O3.C19H20N2O.C18H17N5O/c1-11-8-17(26)23-16-5-3-4-14(19(16)22-11)13-9-15-18(12-6-7-12)24-25(2)20(15)21-10-13;1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17;1-13-11-19(25)23-18-8-4-6-16(20(18)21-13)10-9-15-5-3-7-17(12-15)22-14(2)24;1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16;1-13(15-7-4-3-5-8-15)11-16-9-6-10-17-19(16)20-14(2)12-18(22)21-17;1-12-9-17(24)22-16-4-2-3-15(18(16)21-12)13-10-20-23(11-13)14-5-7-19-8-6-14/h3-5,9-12,22H,6-8H2,1-2H3,(H,23,26);2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25);3-10,12-13,21H,11H2,1-2H3,(H,22,24)(H,23,25);4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23);3-11,14,20H,12H2,1-2H3,(H,21,22);2-8,10-12,21H,9H2,1H3,(H,22,24)/b;;10-9+;;13-11+;/t11-;12-;13-;12-;14-;12-/m111111/s1
• InChIKey: GSRVIGRUNGNNEE-RARCNJMJSA-N
• XLogP: 22.30
• TPSA: 430.76 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1996.36
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

The IUPAC name of (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 158354362) is (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

What is the SMILES notation for (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

The canonical SMILES for (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C/C(=C\c1cccc2c1N[C@H](C)CC(=O)N2)c1ccccc1.CC(=O)Nc1cccc(/C=C/c2cccc3c2N[C@H](C)CC(=O)N3)c1.CCOc1cccc(NC(=O)c2cccc3c2N[C@H](C)CC(=O)N3)c1.C[C@@H]1CC(=O)Nc2cccc(-c3cnc4c(c3)c(C3CC3)nn4C)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3cnn(-c4ccncc4)c3)c2N1.C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2N1.

What is the InChIKey of (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

The InChIKey is GSRVIGRUNGNNEE-RARCNJMJSA-N. The full InChI is InChI=1S/C20H21N5O.C20H18N4O3.C20H21N3O2.C19H21N3O3.C19H20N2O.C18H17N5O/c1-11-8-17(26)23-16-5-3-4-14(19(16)22-11)13-9-15-18(12-6-7-12)24-25(2)20(15)21-10-13;1-12-8-18(25)24-16-7-3-6-15(19(16)22-12)20(26)23-14-5-2-4-13(9-14)17-10-21-11-27-17;1-13-11-19(25)23-18-8-4-6-16(20(18)21-13)10-9-15-5-3-7-17(12-15)22-14(2)24;1-3-25-14-7-4-6-13(11-14)21-19(24)15-8-5-9-16-18(15)20-12(2)10-17(23)22-16;1-13(15-7-4-3-5-8-15)11-16-9-6-10-17-19(16)20-14(2)12-18(22)21-17;1-12-9-17(24)22-16-4-2-3-15(18(16)21-12)13-10-20-23(11-13)14-5-7-19-8-6-14/h3-5,9-12,22H,6-8H2,1-2H3,(H,23,26);2-7,9-12,22H,8H2,1H3,(H,23,26)(H,24,25);3-10,12-13,21H,11H2,1-2H3,(H,22,24)(H,23,25);4-9,11-12,20H,3,10H2,1-2H3,(H,21,24)(H,22,23);3-11,14,20H,12H2,1-2H3,(H,21,22);2-8,10-12,21H,9H2,1H3,(H,22,24)/b;;10-9+;;13-11+;/t11-;12-;13-;12-;14-;12-/m111111/s1.

What are the key properties of (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?

(4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 1996.36 g/mol, XLogP of 22.30, 16 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-6-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;(4R)-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide;N-[3-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]phenyl]acetamide;(4R)-4-methyl-6-[(E)-2-phenylprop-1-enyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-pyridin-4-ylpyrazol-4-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 158354362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).