7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C135H113Cl3N18O15 — CID 157390083

About 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 157390083) has the molecular formula C135H113Cl3N18O15 and a molecular weight of 2333.86 g/mol. Its IUPAC name is 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• PubChem CID: 157390083
• Molecular Formula: C135H113Cl3N18O15
• Molecular Weight: 2333.86 g/mol
• Exact Mass: 2330.77
• IUPAC Name: 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
• SMILES: COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc4c3C=CC4)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(C3=CCN=C3)cc1)C(=O)N2.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4NC3=O)cc2)ccn1.O=C1NC(Cc2ccc(-c3ccnc4c3C=CC4)cc2)C(=O)Nc2ccc(Cl)cc21.O=C1NC(Cc2ccc(C3=CCN=C3)cc2)C(=O)Nc2ccc(Cl)cc21
• InChI: InChI=1S/C25H21N3O3.C24H18ClN3O2.C23H21N3O3.C22H18ClN3O2.C21H19N3O3.C20H16ClN3O2/c1-31-17-9-10-22-20(14-17)24(29)28-23(25(30)27-22)13-15-5-7-16(8-6-15)18-11-12-26-21-4-2-3-19(18)21;25-16-8-9-21-19(13-16)23(29)28-22(24(30)27-21)12-14-4-6-15(7-5-14)17-10-11-26-20-3-1-2-18(17)20;1-14-11-17(9-10-24-14)16-5-3-15(4-6-16)12-21-23(28)25-20-8-7-18(29-2)13-19(20)22(27)26-21;1-13-10-16(8-9-24-13)15-4-2-14(3-5-15)11-20-22(28)25-19-7-6-17(23)12-18(19)21(27)26-20;1-27-16-6-7-18-17(11-16)20(25)24-19(21(26)23-18)10-13-2-4-14(5-3-13)15-8-9-22-12-15;21-15-5-6-17-16(10-15)19(25)24-18(20(26)23-17)9-12-1-3-13(4-2-12)14-7-8-22-11-14/h2-3,5-12,14,23H,4,13H2,1H3,(H,27,30)(H,28,29);1-2,4-11,13,22H,3,12H2,(H,27,30)(H,28,29);3-11,13,21H,12H2,1-2H3,(H,25,28)(H,26,27);2-10,12,20H,11H2,1H3,(H,25,28)(H,26,27);2-8,11-12,19H,9-10H2,1H3,(H,23,26)(H,24,25);1-7,10-11,18H,8-9H2,(H,23,26)(H,24,25)
• InChIKey: BLXATUFUPSRVMA-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 453.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2333.86
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The IUPAC name of 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 157390083) is 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

What is the SMILES notation for 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The canonical SMILES for 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc4c3C=CC4)cc1)C(=O)N2.COc1ccc2c(c1)C(=O)NC(Cc1ccc(C3=CCN=C3)cc1)C(=O)N2.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4NC3=O)cc2)ccn1.O=C1NC(Cc2ccc(-c3ccnc4c3C=CC4)cc2)C(=O)Nc2ccc(Cl)cc21.O=C1NC(Cc2ccc(C3=CCN=C3)cc2)C(=O)Nc2ccc(Cl)cc21.

What is the InChIKey of 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

The InChIKey is BLXATUFUPSRVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3.C24H18ClN3O2.C23H21N3O3.C22H18ClN3O2.C21H19N3O3.C20H16ClN3O2/c1-31-17-9-10-22-20(14-17)24(29)28-23(25(30)27-22)13-15-5-7-16(8-6-15)18-11-12-26-21-4-2-3-19(18)21;25-16-8-9-21-19(13-16)23(29)28-22(24(30)27-21)12-14-4-6-15(7-5-14)17-10-11-26-20-3-1-2-18(17)20;1-14-11-17(9-10-24-14)16-5-3-15(4-6-16)12-21-23(28)25-20-8-7-18(29-2)13-19(20)22(27)26-21;1-13-10-16(8-9-24-13)15-4-2-14(3-5-15)11-20-22(28)25-19-7-6-17(23)12-18(19)21(27)26-20;1-27-16-6-7-18-17(11-16)20(25)24-19(21(26)23-18)10-13-2-4-14(5-3-13)15-8-9-22-12-15;21-15-5-6-17-16(10-15)19(25)24-18(20(26)23-17)9-12-1-3-13(4-2-12)14-7-8-22-11-14/h2-3,5-12,14,23H,4,13H2,1H3,(H,27,30)(H,28,29);1-2,4-11,13,22H,3,12H2,(H,27,30)(H,28,29);3-11,13,21H,12H2,1-2H3,(H,25,28)(H,26,27);2-10,12,20H,11H2,1H3,(H,25,28)(H,26,27);2-8,11-12,19H,9-10H2,1H3,(H,23,26)(H,24,25);1-7,10-11,18H,8-9H2,(H,23,26)(H,24,25).

What are the key properties of 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?

7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 2333.86 g/mol, XLogP of 20.80, 21 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione;7-methoxy-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 157390083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).