bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

C138H164N38O14 — CID 161376855

IUPACbis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3ccc(=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)cc1NC(=O)C=C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Nc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1NC(=O)C=C
InChIInChI=1S/C29H37N7O2.C28H31N7O3.3C27H32N8O3/c1-8-27(37)31-21-17-22(25(38-7)18-24(21)35(6)16-15-34(4)5)32-28-30-14-13-26(33-28)36-19-29(2,3)20-11-9-10-12-23(20)36;1-6-27(37)30-20-17-21(25(38-5)18-23(20)34(4)16-15-33(2)3)31-28-29-13-11-26(32-28)35-14-12-24(36)19-9-7-8-10-22(19)35;3*1-7-25(36)29-18-16-19(23(38-6)17-22(18)33(4)15-14-32(2)3)30-26-28-13-12-24(31-26)35-21-11-9-8-10-20(21)34(5)27(35)37/h8-14,17-18H,1,15-16,19H2,2-7H3,(H,31,37)(H,30,32,33);6-14,17-18H,1,15-16H2,2-5H3,(H,30,37)(H,29,31,32);3*7-13,16-17H,1,14-15H2,2-6H3,(H,29,36)(H,28,30,31)/i4D3;;2D3;;
InChIKeyVREOQVRVOGFOBP-AIEFFWKWSA-N
MW2585.12 g/mol
LogP17.42
Rot. Bonds52

About bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide

bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (PubChem CID 161376855) has the molecular formula C138H164N38O14 and a molecular weight of 2585.12 g/mol. Its IUPAC name is bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

Compound Namebis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID161376855
Molecular FormulaC138H164N38O14
Molecular Weight2585.12 g/mol
Exact Mass2583.37
IUPAC Namebis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3ccc(=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)cc1NC(=O)C=C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Nc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1NC(=O)C=C
InChIInChI=1S/C29H37N7O2.C28H31N7O3.3C27H32N8O3/c1-8-27(37)31-21-17-22(25(38-7)18-24(21)35(6)16-15-34(4)5)32-28-30-14-13-26(33-28)36-19-29(2,3)20-11-9-10-12-23(20)36;1-6-27(37)30-20-17-21(25(38-5)18-23(20)34(4)16-15-33(2)3)31-28-29-13-11-26(32-28)35-14-12-24(36)19-9-7-8-10-22(19)35;3*1-7-25(36)29-18-16-19(23(38-6)17-22(18)33(4)15-14-32(2)3)30-26-28-13-12-24(31-26)35-21-11-9-8-10-20(21)34(5)27(35)37/h8-14,17-18H,1,15-16,19H2,2-7H3,(H,31,37)(H,30,32,33);6-14,17-18H,1,15-16H2,2-5H3,(H,30,37)(H,29,31,32);3*7-13,16-17H,1,14-15H2,2-6H3,(H,29,36)(H,28,30,31)/i4D3;;2D3;;
InChIKeyVREOQVRVOGFOBP-AIEFFWKWSA-N
XLogP17.42
TPSA519.13 Ų
H-Bond Donors10
H-Bond Acceptors47
Rotatable Bonds52
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002585.12
LogP ≤ 517.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide with MolForge

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-4-yl]-6-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl-prop-2-ynylamino]hexanamide
CID 168280905
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]pyridine-3-carboxamide
CID 168293287
4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-N-methylpyrimidine-5-carboxamide
CID 118514845
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-propanoylpyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 129222426
N-[5-[[4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 129226219
N-[5-[[5-acetyl-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
CID 154584064
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-12-[4-[3-methoxy-4-[[5-methyl-7-oxo-8-[3-(prop-2-enoylamino)phenyl]pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]-12-oxododecanamide
CID 162661658
N-[2-[(5E)-5-[2-[2-(4-acetylpiperazin-1-yl)-5-[[4-(6-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyanilino]-2-oxoethylidene]-4-methyl-1,4-diazepan-1-yl]-5-[[4-(6-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 130197190
(Z)-N-[2-(4-acetylpiperazin-1-yl)-5-[[4-(5-fluoroindol-1-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-3-[1-[1-[4-[[4-(5-fluoroindol-1-yl)pyrimidin-2-yl]amino]-5-methoxy-2-(prop-2-enoylamino)phenyl]piperidin-4-yl]piperidin-3-yl]prop-2-enamide
CID 130197218
2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-N-[(4-fluorophenyl)methyl]-4-(1-methylindol-3-yl)pyrimidine-5-carboxamide
CID 155324477
N-[2-[3-(dimethylamino)azetidin-1-yl]-4-methoxy-5-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methoxy-5-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;methyl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(prop-2-enoylamino)anilino]-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrimidine-5-carboxylate
CID 157224851
N-[5-[[4-(3-cyclopropyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(2-oxo-3-propan-2-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(trideuteriomethyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 157305499

Frequently Asked Questions

What is the IUPAC name of bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The IUPAC name of bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide (CID 161376855) is bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide.
What is the SMILES notation for bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The canonical SMILES for bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-n3ccc(=O)c4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Nc2nccc(-n3c(=O)n(C)c4ccccc43)n2)cc1NC(=O)C=C.[2H]C([2H])([2H])N(C)CCN(C)c1cc(OC)c(Nc2nccc(N3CC(C)(C)c4ccccc43)n2)cc1NC(=O)C=C.
What is the InChIKey of bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
The InChIKey is VREOQVRVOGFOBP-AIEFFWKWSA-N. The full InChI is InChI=1S/C29H37N7O2.C28H31N7O3.3C27H32N8O3/c1-8-27(37)31-21-17-22(25(38-7)18-24(21)35(6)16-15-34(4)5)32-28-30-14-13-26(33-28)36-19-29(2,3)20-11-9-10-12-23(20)36;1-6-27(37)30-20-17-21(25(38-5)18-23(20)34(4)16-15-33(2)3)31-28-29-13-11-26(32-28)35-14-12-24(36)19-9-7-8-10-22(19)35;3*1-7-25(36)29-18-16-19(23(38-6)17-22(18)33(4)15-14-32(2)3)30-26-28-13-12-24(31-26)35-21-11-9-8-10-20(21)34(5)27(35)37/h8-14,17-18H,1,15-16,19H2,2-7H3,(H,31,37)(H,30,32,33);6-14,17-18H,1,15-16H2,2-5H3,(H,30,37)(H,29,31,32);3*7-13,16-17H,1,14-15H2,2-6H3,(H,29,36)(H,28,30,31)/i4D3;;2D3;;.
What are the key properties of bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide?
bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide has a molecular weight of 2585.12 g/mol, XLogP of 17.42, 52 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide);N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(4-oxoquinolin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[5-[[4-(3,3-dimethyl-2H-indol-1-yl)pyrimidin-2-yl]amino]-4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]phenyl]prop-2-enamide;N-[4-methoxy-2-[methyl-[2-[methyl(trideuteriomethyl)amino]ethyl]amino]-5-[[4-(3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 161376855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).