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

C145H131Cl3N16O15 — CID 159291727

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

7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 159291727) has the molecular formula C145H131Cl3N16O15 and a molecular weight of 2444.10 g/mol. Its IUPAC name is 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

• Compound Name: 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• PubChem CID: 159291727
• Molecular Formula: C145H131Cl3N16O15
• Molecular Weight: 2444.10 g/mol
• Exact Mass: 2440.90
• IUPAC Name: 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
• SMILES: CN1C(=O)C(Cc2ccc(-c3ccnc4c3C=CC4)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(CC3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc4c3C=CC4)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(CC3=CCC=C3)cc1)C(=O)N2C.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1
• InChI: InChI=1S/C26H23N3O3.C25H20ClN3O2.C24H23N3O3.C24H24N2O3.C23H20ClN3O2.C23H21ClN2O2/c1-29-24-11-10-18(32-2)15-21(24)25(30)28-23(26(29)31)14-16-6-8-17(9-7-16)19-12-13-27-22-5-3-4-20(19)22;1-29-23-10-9-17(26)14-20(23)24(30)28-22(25(29)31)13-15-5-7-16(8-6-15)18-11-12-27-21-4-2-3-19(18)21;1-15-12-18(10-11-25-15)17-6-4-16(5-7-17)13-21-24(29)27(2)22-9-8-19(30-3)14-20(22)23(28)26-21;1-26-22-12-11-19(29-2)15-20(22)23(27)25-21(24(26)28)14-18-9-7-17(8-10-18)13-16-5-3-4-6-16;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-17-8-6-16(7-9-17)12-15-4-2-3-5-15/h3-4,6-13,15,23H,5,14H2,1-2H3,(H,28,30);2-3,5-12,14,22H,4,13H2,1H3,(H,28,30);4-12,14,21H,13H2,1-3H3,(H,26,28);3,5-12,15,21H,4,13-14H2,1-2H3,(H,25,27);3-11,13,20H,12H2,1-2H3,(H,26,28);2,4-11,14,20H,3,12-13H2,1H3,(H,25,27)
• InChIKey: LAFFCGSDFVRNJV-UHFFFAOYSA-N
• XLogP: 22.87
• TPSA: 375.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2444.10
LogP ≤ 5	22.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 159291727) is 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

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

The canonical SMILES for 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is CN1C(=O)C(Cc2ccc(-c3ccnc4c3C=CC4)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(CC3=CCC=C3)cc2)NC(=O)c2cc(Cl)ccc21.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc(C)c3)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccnc4c3C=CC4)cc1)C(=O)N2C.COc1ccc2c(c1)C(=O)NC(Cc1ccc(CC3=CCC=C3)cc1)C(=O)N2C.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1.

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

The InChIKey is LAFFCGSDFVRNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3.C25H20ClN3O2.C24H23N3O3.C24H24N2O3.C23H20ClN3O2.C23H21ClN2O2/c1-29-24-11-10-18(32-2)15-21(24)25(30)28-23(26(29)31)14-16-6-8-17(9-7-16)19-12-13-27-22-5-3-4-20(19)22;1-29-23-10-9-17(26)14-20(23)24(30)28-22(25(29)31)13-15-5-7-16(8-6-15)18-11-12-27-21-4-2-3-19(18)21;1-15-12-18(10-11-25-15)17-6-4-16(5-7-17)13-21-24(29)27(2)22-9-8-19(30-3)14-20(22)23(28)26-21;1-26-22-12-11-19(29-2)15-20(22)23(27)25-21(24(26)28)14-18-9-7-17(8-10-18)13-16-5-3-4-6-16;1-14-11-17(9-10-25-14)16-5-3-15(4-6-16)12-20-23(29)27(2)21-8-7-18(24)13-19(21)22(28)26-20;1-26-21-11-10-18(24)14-19(21)22(27)25-20(23(26)28)13-17-8-6-16(7-9-17)12-15-4-2-3-5-15/h3-4,6-13,15,23H,5,14H2,1-2H3,(H,28,30);2-3,5-12,14,22H,4,13H2,1H3,(H,28,30);4-12,14,21H,13H2,1-3H3,(H,26,28);3,5-12,15,21H,4,13-14H2,1-2H3,(H,25,27);3-11,13,20H,12H2,1-2H3,(H,26,28);2,4-11,14,20H,3,12-13H2,1H3,(H,25,27).

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

7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 2444.10 g/mol, XLogP of 22.87, 23 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(7H-cyclopenta[b]pyridin-4-yl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-7-methoxy-1-methyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 159291727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).