3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide

C137H143ClN36O7S — CID 159871747

IUPAC3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2Cl)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccccc5)cc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5cccs5)cc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccncc5)cc3C(=O)N4C)cc2)CC1
InChIInChI=1S/C30H31N7O.C29H30N8O.C28H29N7OS.C25H26ClN7O2.C25H27N7O2/c1-34-15-17-37(18-16-34)24-12-10-23(11-13-24)32-30-31-20-27-28(33-30)35(2)26-14-9-22(21-7-5-4-6-8-21)19-25(26)29(38)36(27)3;1-34-14-16-37(17-15-34)23-7-5-22(6-8-23)32-29-31-19-26-27(33-29)35(2)25-9-4-21(20-10-12-30-13-11-20)18-24(25)28(38)36(26)3;1-32-12-14-35(15-13-32)21-9-7-20(8-10-21)30-28-29-18-24-26(31-28)33(2)23-11-6-19(25-5-4-16-37-25)17-22(23)27(36)34(24)3;1-30-10-12-33(13-11-30)20-9-8-16(14-18(20)26)23(34)29-25-27-15-21-22(28-25)31(2)19-7-5-4-6-17(19)24(35)32(21)3;1-29-12-14-32(15-13-29)18-10-8-17(9-11-18)23(33)28-25-26-16-21-22(27-25)30(2)20-7-5-4-6-19(20)24(34)31(21)3/h4-14,19-20H,15-18H2,1-3H3,(H,31,32,33);4-13,18-19H,14-17H2,1-3H3,(H,31,32,33);4-11,16-18H,12-15H2,1-3H3,(H,29,30,31);4-9,14-15H,10-13H2,1-3H3,(H,27,28,29,34);4-11,16H,12-15H2,1-3H3,(H,26,27,28,33)
InChIKeyNSKZKMOBUDHOBE-UHFFFAOYSA-N
MW2473.42 g/mol
LogP20.78
Rot. Bonds18

About 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide

3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 159871747) has the molecular formula C137H143ClN36O7S and a molecular weight of 2473.42 g/mol. Its IUPAC name is 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID159871747
Molecular FormulaC137H143ClN36O7S
Molecular Weight2473.42 g/mol
Exact Mass2471.13
IUPAC Name3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2Cl)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccccc5)cc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5cccs5)cc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccncc5)cc3C(=O)N4C)cc2)CC1
InChIInChI=1S/C30H31N7O.C29H30N8O.C28H29N7OS.C25H26ClN7O2.C25H27N7O2/c1-34-15-17-37(18-16-34)24-12-10-23(11-13-24)32-30-31-20-27-28(33-30)35(2)26-14-9-22(21-7-5-4-6-8-21)19-25(26)29(38)36(27)3;1-34-14-16-37(17-15-34)23-7-5-22(6-8-23)32-29-31-19-26-27(33-29)35(2)25-9-4-21(20-10-12-30-13-11-20)18-24(25)28(38)36(26)3;1-32-12-14-35(15-13-32)21-9-7-20(8-10-21)30-28-29-18-24-26(31-28)33(2)23-11-6-19(25-5-4-16-37-25)17-22(23)27(36)34(24)3;1-30-10-12-33(13-11-30)20-9-8-16(14-18(20)26)23(34)29-25-27-15-21-22(28-25)31(2)19-7-5-4-6-17(19)24(35)32(21)3;1-29-12-14-32(15-13-29)18-10-8-17(9-11-18)23(33)28-25-26-16-21-22(27-25)30(2)20-7-5-4-6-19(20)24(34)31(21)3/h4-14,19-20H,15-18H2,1-3H3,(H,31,32,33);4-13,18-19H,14-17H2,1-3H3,(H,31,32,33);4-11,16-18H,12-15H2,1-3H3,(H,29,30,31);4-9,14-15H,10-13H2,1-3H3,(H,27,28,29,34);4-11,16H,12-15H2,1-3H3,(H,26,27,28,33)
InChIKeyNSKZKMOBUDHOBE-UHFFFAOYSA-N
XLogP20.78
TPSA386.23 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002473.42
LogP ≤ 520.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide with MolForge

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Related Compounds

N-(2-acetamido-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;N-(2-amino-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl)-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;N-[2-(cyclopropylamino)-5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-8-yl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide;8-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-2,5,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 159467966
2-[4-[4-[3-[5-[3-Chloro-4-[8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]naphthalen-1-yl]propyl]piperazin-1-yl]anilino]-8-ethyl-6-(4-thiophen-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 123153932
actinium;3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;3-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide;N-[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-methyl-3-oxoprop-1-enyl]-4-(2-methylphenyl)benzamide;N-(5-chloro-2-pyridinyl)-5-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-3,6-dihydro-2H-pyridin-1-ide-4-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(2-methylphenyl)benzoyl]amino]-5-methylbenzamide
CID 158325846
Bis(5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one);5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 160931485
4-[2-(buta-1,3-dien-2-ylamino)anilino]-N-(2-chloro-6-methylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide;N-[2-[[5-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[[5-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-5-thiophen-2-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 167556522

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide (CID 159871747) is 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(C(=O)Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)cc2Cl)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccccc5)cc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5cccs5)cc3C(=O)N4C)cc2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccncc5)cc3C(=O)N4C)cc2)CC1.
What is the InChIKey of 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is NSKZKMOBUDHOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O.C29H30N8O.C28H29N7OS.C25H26ClN7O2.C25H27N7O2/c1-34-15-17-37(18-16-34)24-12-10-23(11-13-24)32-30-31-20-27-28(33-30)35(2)26-14-9-22(21-7-5-4-6-8-21)19-25(26)29(38)36(27)3;1-34-14-16-37(17-15-34)23-7-5-22(6-8-23)32-29-31-19-26-27(33-29)35(2)25-9-4-21(20-10-12-30-13-11-20)18-24(25)28(38)36(26)3;1-32-12-14-35(15-13-32)21-9-7-20(8-10-21)30-28-29-18-24-26(31-28)33(2)23-11-6-19(25-5-4-16-37-25)17-22(23)27(36)34(24)3;1-30-10-12-33(13-11-30)20-9-8-16(14-18(20)26)23(34)29-25-27-15-21-22(28-25)31(2)19-7-5-4-6-17(19)24(35)32(21)3;1-29-12-14-32(15-13-29)18-10-8-17(9-11-18)23(33)28-25-26-16-21-22(27-25)30(2)20-7-5-4-6-19(20)24(34)31(21)3/h4-14,19-20H,15-18H2,1-3H3,(H,31,32,33);4-13,18-19H,14-17H2,1-3H3,(H,31,32,33);4-11,16-18H,12-15H2,1-3H3,(H,29,30,31);4-9,14-15H,10-13H2,1-3H3,(H,27,28,29,34);4-11,16H,12-15H2,1-3H3,(H,26,27,28,33).
What are the key properties of 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide?
3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 2473.42 g/mol, XLogP of 20.78, 18 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-pyridin-4-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-thiophen-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 159871747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).