(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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide

C109H117N19O12S — CID 161229954

About (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide

(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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide (PubChem CID 161229954) has the molecular formula C109H117N19O12S and a molecular weight of 1917.32 g/mol. Its IUPAC name is (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide
• PubChem CID: 161229954
• Molecular Formula: C109H117N19O12S
• Molecular Weight: 1917.32 g/mol
• Exact Mass: 1915.88
• IUPAC Name: (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide
• SMILES: CC(C)Oc1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cnc1N.COc1ccc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc(C(=O)NC4CC4)cc3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CC(=O)N4)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CCN4C)c2N1.C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3S(N)(=O)=O)c2N1
• InChI: InChI=1S/C20H21N3O2.C19H21N3O.C18H22N4O2.C18H19N3O3S.C18H17N3O2.C16H17N3O2/c1-12-11-18(24)23-17-4-2-3-16(19(17)21-12)13-5-7-14(8-6-13)20(25)22-15-9-10-15;1-12-10-18(23)21-16-5-3-4-15(19(16)20-12)13-6-7-17-14(11-13)8-9-22(17)2;1-10(2)24-15-8-12(9-20-18(15)19)13-5-4-6-14-17(13)21-11(3)7-16(23)22-14;1-12-11-17(22)21-15-7-4-6-14(18(15)20-12)10-9-13-5-2-3-8-16(13)25(19,23)24;1-10-7-16(22)21-15-4-2-3-13(18(15)19-10)11-5-6-14-12(8-11)9-17(23)20-14;1-10-8-14(20)19-13-5-3-4-12(16(13)18-10)11-6-7-15(21-2)17-9-11/h2-8,12,15,21H,9-11H2,1H3,(H,22,25)(H,23,24);3-7,11-12,20H,8-10H2,1-2H3,(H,21,23);4-6,8-11,21H,7H2,1-3H3,(H2,19,20)(H,22,23);2-10,12,20H,11H2,1H3,(H,21,22)(H2,19,23,24);2-6,8,10,19H,7,9H2,1H3,(H,20,23)(H,21,22);3-7,9-10,18H,8H2,1-2H3,(H,19,20)/b;;;10-9+;;/t2*12-;11-;12-;2*10-/m111111/s1
• InChIKey: UYPTZIWKHUQGPK-BNXUQCPWSA-N
• XLogP: 18.68
• TPSA: 438.64 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1917.32
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide?

The IUPAC name of (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide (CID 161229954) is (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide.

What is the SMILES notation for (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide?

The canonical SMILES for (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide is CC(C)Oc1cc(-c2cccc3c2N[C@H](C)CC(=O)N3)cnc1N.COc1ccc(-c2cccc3c2N[C@H](C)CC(=O)N3)cn1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc(C(=O)NC4CC4)cc3)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CC(=O)N4)c2N1.C[C@@H]1CC(=O)Nc2cccc(-c3ccc4c(c3)CCN4C)c2N1.C[C@@H]1CC(=O)Nc2cccc(/C=C/c3ccccc3S(N)(=O)=O)c2N1.

What is the InChIKey of (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide?

The InChIKey is UYPTZIWKHUQGPK-BNXUQCPWSA-N. The full InChI is InChI=1S/C20H21N3O2.C19H21N3O.C18H22N4O2.C18H19N3O3S.C18H17N3O2.C16H17N3O2/c1-12-11-18(24)23-17-4-2-3-16(19(17)21-12)13-5-7-14(8-6-13)20(25)22-15-9-10-15;1-12-10-18(23)21-16-5-3-4-15(19(16)20-12)13-6-7-17-14(11-13)8-9-22(17)2;1-10(2)24-15-8-12(9-20-18(15)19)13-5-4-6-14-17(13)21-11(3)7-16(23)22-14;1-12-11-17(22)21-15-7-4-6-14(18(15)20-12)10-9-13-5-2-3-8-16(13)25(19,23)24;1-10-7-16(22)21-15-4-2-3-13(18(15)19-10)11-5-6-14-12(8-11)9-17(23)20-14;1-10-8-14(20)19-13-5-3-4-12(16(13)18-10)11-6-7-15(21-2)17-9-11/h2-8,12,15,21H,9-11H2,1H3,(H,22,25)(H,23,24);3-7,11-12,20H,8-10H2,1-2H3,(H,21,23);4-6,8-11,21H,7H2,1-3H3,(H2,19,20)(H,22,23);2-10,12,20H,11H2,1H3,(H,21,22)(H2,19,23,24);2-6,8,10,19H,7,9H2,1H3,(H,20,23)(H,21,22);3-7,9-10,18H,8H2,1-2H3,(H,19,20)/b;;;10-9+;;/t2*12-;11-;12-;2*10-/m111111/s1.

What are the key properties of (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide?

(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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide has a molecular weight of 1917.32 g/mol, XLogP of 18.68, 13 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (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;2-[(E)-2-[(4R)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl]ethenyl]benzenesulfonamide is sourced from PubChem (CID 161229954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).