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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one

C155H180F4N38O13 — CID 158458036

IUPAC5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
SMILESCN1CCN(C2CCN(C(=O)c3ccc(Nc4ncc5c(n4)N(C)c4ccccc4C(=O)N5C)c(OC(F)(F)F)c3)CC2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccccc5)cc3C(=O)N4C)cc2)CC1.COc1cc(C(=O)N2CCC(N3CCCCC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1c(C)cccc1C(=O)N2C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1c(F)cccc1C(=O)N2C
InChIInChI=1S/C32H40N8O3.C31H35F3N8O3.C31H37FN8O3.C31H37N7O3.C30H31N7O/c1-21-7-6-8-24-28(21)38(4)29-26(37(3)31(24)42)20-33-32(35-29)34-25-10-9-22(19-27(25)43-5)30(41)40-13-11-23(12-14-40)39-17-15-36(2)16-18-39;1-38-14-16-41(17-15-38)21-10-12-42(13-11-21)28(43)20-8-9-23(26(18-20)45-31(32,33)34)36-30-35-19-25-27(37-30)39(2)24-7-5-4-6-22(24)29(44)40(25)3;1-36-14-16-39(17-15-36)21-10-12-40(13-11-21)29(41)20-8-9-24(26(18-20)43-4)34-31-33-19-25-28(35-31)38(3)27-22(30(42)37(25)2)6-5-7-23(27)32;1-35-25-10-6-5-9-23(25)30(40)36(2)26-20-32-31(34-28(26)35)33-24-12-11-21(19-27(24)41-3)29(39)38-17-13-22(14-18-38)37-15-7-4-8-16-37;1-34-15-17-37(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/h6-10,19-20,23H,11-18H2,1-5H3,(H,33,34,35);4-9,18-19,21H,10-17H2,1-3H3,(H,35,36,37);5-9,18-19,21H,10-17H2,1-4H3,(H,33,34,35);5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,32,33,34);4-14,19-20H,15-18H2,1-3H3,(H,31,32,33)
InChIKeyHEUVCDSQBFRTSN-UHFFFAOYSA-N
MW2859.39 g/mol
LogP21.33
Rot. Bonds24

About 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one

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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one (PubChem CID 158458036) has the molecular formula C155H180F4N38O13 and a molecular weight of 2859.39 g/mol. Its IUPAC name is 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
PubChem CID158458036
Molecular FormulaC155H180F4N38O13
Molecular Weight2859.39 g/mol
Exact Mass2857.45
IUPAC Name5,11-dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
SMILESCN1CCN(C2CCN(C(=O)c3ccc(Nc4ncc5c(n4)N(C)c4ccccc4C(=O)N5C)c(OC(F)(F)F)c3)CC2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccccc5)cc3C(=O)N4C)cc2)CC1.COc1cc(C(=O)N2CCC(N3CCCCC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1c(C)cccc1C(=O)N2C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1c(F)cccc1C(=O)N2C
InChIInChI=1S/C32H40N8O3.C31H35F3N8O3.C31H37FN8O3.C31H37N7O3.C30H31N7O/c1-21-7-6-8-24-28(21)38(4)29-26(37(3)31(24)42)20-33-32(35-29)34-25-10-9-22(19-27(25)43-5)30(41)40-13-11-23(12-14-40)39-17-15-36(2)16-18-39;1-38-14-16-41(17-15-38)21-10-12-42(13-11-21)28(43)20-8-9-23(26(18-20)45-31(32,33)34)36-30-35-19-25-27(37-30)39(2)24-7-5-4-6-22(24)29(44)40(25)3;1-36-14-16-39(17-15-36)21-10-12-40(13-11-21)29(41)20-8-9-24(26(18-20)43-4)34-31-33-19-25-28(35-31)38(3)27-22(30(42)37(25)2)6-5-7-23(27)32;1-35-25-10-6-5-9-23(25)30(40)36(2)26-20-32-31(34-28(26)35)33-24-12-11-21(19-27(24)41-3)29(39)38-17-13-22(14-18-38)37-15-7-4-8-16-37;1-34-15-17-37(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/h6-10,19-20,23H,11-18H2,1-5H3,(H,33,34,35);4-9,18-19,21H,10-17H2,1-3H3,(H,35,36,37);5-9,18-19,21H,10-17H2,1-4H3,(H,33,34,35);5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,32,33,34);4-14,19-20H,15-18H2,1-3H3,(H,31,32,33)
InChIKeyHEUVCDSQBFRTSN-UHFFFAOYSA-N
XLogP21.33
TPSA454.12 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002859.39
LogP ≤ 521.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one?
The IUPAC name of 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one (CID 158458036) is 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one?
The canonical SMILES for 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one is CN1CCN(C2CCN(C(=O)c3ccc(Nc4ncc5c(n4)N(C)c4ccccc4C(=O)N5C)c(OC(F)(F)F)c3)CC2)CC1.CN1CCN(c2ccc(Nc3ncc4c(n3)N(C)c3ccc(-c5ccccc5)cc3C(=O)N4C)cc2)CC1.COc1cc(C(=O)N2CCC(N3CCCCC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1c(C)cccc1C(=O)N2C.COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1c(F)cccc1C(=O)N2C.
What is the InChIKey of 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one?
The InChIKey is HEUVCDSQBFRTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N8O3.C31H35F3N8O3.C31H37FN8O3.C31H37N7O3.C30H31N7O/c1-21-7-6-8-24-28(21)38(4)29-26(37(3)31(24)42)20-33-32(35-29)34-25-10-9-22(19-27(25)43-5)30(41)40-13-11-23(12-14-40)39-17-15-36(2)16-18-39;1-38-14-16-41(17-15-38)21-10-12-42(13-11-21)28(43)20-8-9-23(26(18-20)45-31(32,33)34)36-30-35-19-25-27(37-30)39(2)24-7-5-4-6-22(24)29(44)40(25)3;1-36-14-16-39(17-15-36)21-10-12-40(13-11-21)29(41)20-8-9-24(26(18-20)43-4)34-31-33-19-25-28(35-31)38(3)27-22(30(42)37(25)2)6-5-7-23(27)32;1-35-25-10-6-5-9-23(25)30(40)36(2)26-20-32-31(34-28(26)35)33-24-12-11-21(19-27(24)41-3)29(39)38-17-13-22(14-18-38)37-15-7-4-8-16-37;1-34-15-17-37(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/h6-10,19-20,23H,11-18H2,1-5H3,(H,33,34,35);4-9,18-19,21H,10-17H2,1-3H3,(H,35,36,37);5-9,18-19,21H,10-17H2,1-4H3,(H,33,34,35);5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,32,33,34);4-14,19-20H,15-18H2,1-3H3,(H,31,32,33).
What are the key properties of 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one?
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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one has a molecular weight of 2859.39 g/mol, XLogP of 21.33, 24 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 158458036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).