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

C119H107Cl3N16O12 — CID 158722597

IUPAC7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)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;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESC.CN1C(=O)C(Cc2ccc(-c3ccnc4c3C=CC4)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCN=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(-c3ccnc4[nH]ccc34)cc1)C(=O)N2C.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1
InChIInChI=1S/C25H20ClN3O2.C25H22N4O3.C24H23N3O3.C23H20ClN3O2.C21H18ClN3O2.CH4/c1-29-23-10-9-17(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;1-29-22-8-7-17(32-2)14-20(22)24(30)28-21(25(29)31)13-15-3-5-16(6-4-15)18-9-11-26-23-19(18)10-12-27-23;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;1-14-11-17(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;1-25-19-7-6-16(22)11-17(19)20(26)24-18(21(25)27)10-13-2-4-14(5-3-13)15-8-9-23-12-15;/h2-3,5-12,14,22H,4,13H2,1H3,(H,28,30);3-12,14,21H,13H2,1-2H3,(H,26,27)(H,28,30);4-12,14,21H,13H2,1-3H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);2-8,11-12,18H,9-10H2,1H3,(H,24,26);1H4
InChIKeyIKCHLTWPXACVLH-UHFFFAOYSA-N
MW2059.62 g/mol
LogP19.02
Rot. Bonds17

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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 158722597) has the molecular formula C119H107Cl3N16O12 and a molecular weight of 2059.62 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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)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;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID158722597
Molecular FormulaC119H107Cl3N16O12
Molecular Weight2059.62 g/mol
Exact Mass2056.73
IUPAC Name7-chloro-3-[[4-(7H-cyclopenta[b]pyridin-4-yl)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;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESC.CN1C(=O)C(Cc2ccc(-c3ccnc4c3C=CC4)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCN=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(-c3ccnc4[nH]ccc34)cc1)C(=O)N2C.Cc1cc(-c2ccc(CC3NC(=O)c4cc(Cl)ccc4N(C)C3=O)cc2)ccn1
InChIInChI=1S/C25H20ClN3O2.C25H22N4O3.C24H23N3O3.C23H20ClN3O2.C21H18ClN3O2.CH4/c1-29-23-10-9-17(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;1-29-22-8-7-17(32-2)14-20(22)24(30)28-21(25(29)31)13-15-3-5-16(6-4-15)18-9-11-26-23-19(18)10-12-27-23;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;1-14-11-17(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;1-25-19-7-6-16(22)11-17(19)20(26)24-18(21(25)27)10-13-2-4-14(5-3-13)15-8-9-23-12-15;/h2-3,5-12,14,22H,4,13H2,1H3,(H,28,30);3-12,14,21H,13H2,1-2H3,(H,26,27)(H,28,30);4-12,14,21H,13H2,1-3H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);2-8,11-12,18H,9-10H2,1H3,(H,24,26);1H4
InChIKeyIKCHLTWPXACVLH-UHFFFAOYSA-N
XLogP19.02
TPSA345.22 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002059.62
LogP ≤ 519.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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

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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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 158722597) 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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is C.CN1C(=O)C(Cc2ccc(-c3ccnc4c3C=CC4)cc2)NC(=O)c2cc(Cl)ccc21.CN1C(=O)C(Cc2ccc(C3=CCN=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(-c3ccnc4[nH]ccc34)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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is IKCHLTWPXACVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O2.C25H22N4O3.C24H23N3O3.C23H20ClN3O2.C21H18ClN3O2.CH4/c1-29-23-10-9-17(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;1-29-22-8-7-17(32-2)14-20(22)24(30)28-21(25(29)31)13-15-3-5-16(6-4-15)18-9-11-26-23-19(18)10-12-27-23;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;1-14-11-17(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;1-25-19-7-6-16(22)11-17(19)20(26)24-18(21(25)27)10-13-2-4-14(5-3-13)15-8-9-23-12-15;/h2-3,5-12,14,22H,4,13H2,1H3,(H,28,30);3-12,14,21H,13H2,1-2H3,(H,26,27)(H,28,30);4-12,14,21H,13H2,1-3H3,(H,26,28);3-11,13,20H,12H2,1-2H3,(H,26,28);2-8,11-12,18H,9-10H2,1H3,(H,24,26);1H4.
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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 2059.62 g/mol, XLogP of 19.02, 17 rotatable bonds, 6 hydrogen bond donors, and 17 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-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-chloro-1-methyl-3-[[4-(2H-pyrrol-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;methane;7-methoxy-1-methyl-3-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione;7-methoxy-1-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 158722597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).