5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide

C121H132N42O13S2 — CID 158917064

IUPAC5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide
SMILESCC(C)n1cc(Nc2ncc3c(n2)N(C)c2cc(S(=O)(=O)N(C)C)ccc2C(=O)N3C)cn1.CC(C)n1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)cn1.CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C)c3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4CCOCC4)c3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4COC4)c3)ncc21
InChIInChI=1S/C24H26N6O4S.C21H26N8O3S.C21H23N7O2.C19H19N7O2.C19H21N7O.C17H17N7O/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-18(10-8-16)35(33,34)30-13-11-17(31)12-14-30;1-13(2)29-12-14(10-23-29)24-21-22-11-18-19(25-21)27(5)17-9-15(33(31,32)26(3)4)7-8-16(17)20(30)28(18)6;1-26-17-6-4-3-5-16(17)20(29)27(2)18-12-22-21(25-19(18)26)24-14-11-23-28(13-14)15-7-9-30-10-8-15;1-24-15-6-4-3-5-14(15)18(27)25(2)16-8-20-19(23-17(16)24)22-12-7-21-26(9-12)13-10-28-11-13;1-12(2)26-11-13(9-21-26)22-19-20-10-16-17(23-19)24(3)15-8-6-5-7-14(15)18(27)25(16)4;1-22-10-11(8-19-22)20-17-18-9-14-15(21-17)23(2)13-7-5-4-6-12(13)16(25)24(14)3/h3-10,15,17,31H,11-14H2,1-2H3,(H,25,26,27);7-13H,1-6H3,(H,22,24,25);3-6,11-13,15H,7-10H2,1-2H3,(H,22,24,25);3-9,13H,10-11H2,1-2H3,(H,20,22,23);5-12H,1-4H3,(H,20,22,23);4-10H,1-3H3,(H,18,20,21)
InChIKeyJHIYNPGGCMVVTQ-UHFFFAOYSA-N
MW2446.80 g/mol
LogP16.47
Rot. Bonds20

About 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide

5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide (PubChem CID 158917064) has the molecular formula C121H132N42O13S2 and a molecular weight of 2446.80 g/mol. Its IUPAC name is 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide.

Molecular Properties

Compound Name5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide
PubChem CID158917064
Molecular FormulaC121H132N42O13S2
Molecular Weight2446.80 g/mol
Exact Mass2445.04
IUPAC Name5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide
SMILESCC(C)n1cc(Nc2ncc3c(n2)N(C)c2cc(S(=O)(=O)N(C)C)ccc2C(=O)N3C)cn1.CC(C)n1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)cn1.CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C)c3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4CCOCC4)c3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4COC4)c3)ncc21
InChIInChI=1S/C24H26N6O4S.C21H26N8O3S.C21H23N7O2.C19H19N7O2.C19H21N7O.C17H17N7O/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-18(10-8-16)35(33,34)30-13-11-17(31)12-14-30;1-13(2)29-12-14(10-23-29)24-21-22-11-18-19(25-21)27(5)17-9-15(33(31,32)26(3)4)7-8-16(17)20(30)28(18)6;1-26-17-6-4-3-5-16(17)20(29)27(2)18-12-22-21(25-19(18)26)24-14-11-23-28(13-14)15-7-9-30-10-8-15;1-24-15-6-4-3-5-14(15)18(27)25(2)16-8-20-19(23-17(16)24)22-12-7-21-26(9-12)13-10-28-11-13;1-12(2)26-11-13(9-21-26)22-19-20-10-16-17(23-19)24(3)15-8-6-5-7-14(15)18(27)25(16)4;1-22-10-11(8-19-22)20-17-18-9-14-15(21-17)23(2)13-7-5-4-6-12(13)16(25)24(14)3/h3-10,15,17,31H,11-14H2,1-2H3,(H,25,26,27);7-13H,1-6H3,(H,22,24,25);3-6,11-13,15H,7-10H2,1-2H3,(H,22,24,25);3-9,13H,10-11H2,1-2H3,(H,20,22,23);5-12H,1-4H3,(H,20,22,23);4-10H,1-3H3,(H,18,20,21)
InChIKeyJHIYNPGGCMVVTQ-UHFFFAOYSA-N
XLogP16.47
TPSA570.71 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds20
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002446.80
LogP ≤ 516.47
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,11-Dimethyl-2-[4-(4-methylpiperazin-1-yl)sulfonylanilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;3-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 157236276
2-[3-[(3-acetylimidazolidin-1-yl)-methylidene-oxo-lambda6-sulfanyl]anilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-[(4-hydroxypiperidin-1-yl)-methylidene-oxo-lambda6-sulfanyl]-2-pyridinyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[[(3R)-3-hydroxypyrrolidin-1-yl]-methylidene-oxo-lambda6-sulfanyl]anilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[[(3S)-3-hydroxypyrrolidin-1-yl]-methylidene-oxo-lambda6-sulfanyl]anilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 161096950

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide?
The IUPAC name of 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide (CID 158917064) is 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide.
What is the SMILES notation for 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide?
The canonical SMILES for 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide is CC(C)n1cc(Nc2ncc3c(n2)N(C)c2cc(S(=O)(=O)N(C)C)ccc2C(=O)N3C)cn1.CC(C)n1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3C)cn1.CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(S(=O)(=O)N4CCC(O)CC4)cc3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C)c3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4CCOCC4)c3)ncc21.CN1C(=O)c2ccccc2N(C)c2nc(Nc3cnn(C4COC4)c3)ncc21.
What is the InChIKey of 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide?
The InChIKey is JHIYNPGGCMVVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4S.C21H26N8O3S.C21H23N7O2.C19H19N7O2.C19H21N7O.C17H17N7O/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-18(10-8-16)35(33,34)30-13-11-17(31)12-14-30;1-13(2)29-12-14(10-23-29)24-21-22-11-18-19(25-21)27(5)17-9-15(33(31,32)26(3)4)7-8-16(17)20(30)28(18)6;1-26-17-6-4-3-5-16(17)20(29)27(2)18-12-22-21(25-19(18)26)24-14-11-23-28(13-14)15-7-9-30-10-8-15;1-24-15-6-4-3-5-14(15)18(27)25(2)16-8-20-19(23-17(16)24)22-12-7-21-26(9-12)13-10-28-11-13;1-12(2)26-11-13(9-21-26)22-19-20-10-16-17(23-19)24(3)15-8-6-5-7-14(15)18(27)25(16)4;1-22-10-11(8-19-22)20-17-18-9-14-15(21-17)23(2)13-7-5-4-6-12(13)16(25)24(14)3/h3-10,15,17,31H,11-14H2,1-2H3,(H,25,26,27);7-13H,1-6H3,(H,22,24,25);3-6,11-13,15H,7-10H2,1-2H3,(H,22,24,25);3-9,13H,10-11H2,1-2H3,(H,20,22,23);5-12H,1-4H3,(H,20,22,23);4-10H,1-3H3,(H,18,20,21).
What are the key properties of 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide?
5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide has a molecular weight of 2446.80 g/mol, XLogP of 16.47, 20 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-2-[(1-methylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[[1-(oxetan-3-yl)pyrazol-4-yl]amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidin-1-yl)sulfonylanilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N,N,5,11-tetramethyl-6-oxo-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepine-9-sulfonamide is sourced from PubChem (CID 158917064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).