N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide

C145H175N37O11S — CID 158628546

IUPACN-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N1CC(N(C)C)C1.C=CS(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.COC/C=C/C(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-n2ccc3ccccc32)n1.COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN2CCCCC2)cc1Nc1nccc(-n2ccc3ccccc32)n1
InChIInChI=1S/C33H42N8O2.C30H38N8O2.C29H35N7O3.C27H29N7O2.C26H31N7O2S/c1-38(2)21-22-39(3)29-24-30(43-4)27(23-26(29)35-32(42)13-10-19-40-17-8-5-9-18-40)36-33-34-16-14-31(37-33)41-20-15-25-11-6-7-12-28(25)41;1-35(2)16-9-12-29(39)32-23-20-24(27(40-6)21-26(23)37(5)19-18-36(3)4)33-30-31-15-13-28(34-30)38-17-14-22-10-7-8-11-25(22)38;1-34(2)16-17-35(3)25-20-26(39-5)23(19-22(25)31-28(37)11-8-18-38-4)32-29-30-14-12-27(33-29)36-15-13-21-9-6-7-10-24(21)36;1-5-26(35)29-20-14-21(24(36-4)15-23(20)33-16-19(17-33)32(2)3)30-27-28-12-10-25(31-27)34-13-11-18-8-6-7-9-22(18)34;1-6-36(34)30-20-17-21(24(35-5)18-23(20)32(4)16-15-31(2)3)28-26-27-13-11-25(29-26)33-14-12-19-9-7-8-10-22(19)33/h6-7,10-16,20,23-24H,5,8-9,17-19,21-22H2,1-4H3,(H,35,42)(H,34,36,37);7-15,17,20-21H,16,18-19H2,1-6H3,(H,32,39)(H,31,33,34);6-15,19-20H,16-18H2,1-5H3,(H,31,37)(H,30,32,33);5-15,19H,1,16-17H2,2-4H3,(H,29,35)(H,28,30,31);6-14,17-18,30H,1,15-16H2,2-5H3,(H,27,28,29)/b13-10+;12-9+;11-8+;;
InChIKeyHYXBERVNWFOGGP-JXLJOQMSSA-N
MW2644.31 g/mol
LogP22.13
Rot. Bonds55

About N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide

N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide (PubChem CID 158628546) has the molecular formula C145H175N37O11S and a molecular weight of 2644.31 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide
PubChem CID158628546
Molecular FormulaC145H175N37O11S
Molecular Weight2644.31 g/mol
Exact Mass2642.40
IUPAC NameN-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N1CC(N(C)C)C1.C=CS(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.COC/C=C/C(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-n2ccc3ccccc32)n1.COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN2CCCCC2)cc1Nc1nccc(-n2ccc3ccccc32)n1
InChIInChI=1S/C33H42N8O2.C30H38N8O2.C29H35N7O3.C27H29N7O2.C26H31N7O2S/c1-38(2)21-22-39(3)29-24-30(43-4)27(23-26(29)35-32(42)13-10-19-40-17-8-5-9-18-40)36-33-34-16-14-31(37-33)41-20-15-25-11-6-7-12-28(25)41;1-35(2)16-9-12-29(39)32-23-20-24(27(40-6)21-26(23)37(5)19-18-36(3)4)33-30-31-15-13-28(34-30)38-17-14-22-10-7-8-11-25(22)38;1-34(2)16-17-35(3)25-20-26(39-5)23(19-22(25)31-28(37)11-8-18-38-4)32-29-30-14-12-27(33-29)36-15-13-21-9-6-7-10-24(21)36;1-5-26(35)29-20-14-21(24(36-4)15-23(20)33-16-19(17-33)32(2)3)30-27-28-12-10-25(31-27)34-13-11-18-8-6-7-9-22(18)34;1-6-36(34)30-20-17-21(24(35-5)18-23(20)32(4)16-15-31(2)3)28-26-27-13-11-25(29-26)33-14-12-19-9-7-8-10-22(19)33/h6-7,10-16,20,23-24H,5,8-9,17-19,21-22H2,1-4H3,(H,35,42)(H,34,36,37);7-15,17,20-21H,16,18-19H2,1-6H3,(H,32,39)(H,31,33,34);6-15,19-20H,16-18H2,1-5H3,(H,31,37)(H,30,32,33);5-15,19H,1,16-17H2,2-4H3,(H,29,35)(H,28,30,31);6-14,17-18,30H,1,15-16H2,2-5H3,(H,27,28,29)/b13-10+;12-9+;11-8+;;
InChIKeyHYXBERVNWFOGGP-JXLJOQMSSA-N
XLogP22.13
TPSA453.46 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds55
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002644.31
LogP ≤ 522.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide?
The IUPAC name of N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide (CID 158628546) is N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide?
The canonical SMILES for N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N1CC(N(C)C)C1.C=CS(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.COC/C=C/C(=O)Nc1cc(Nc2nccc(-n3ccc4ccccc43)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN(C)C)cc1Nc1nccc(-n2ccc3ccccc32)n1.COc1cc(N(C)CCN(C)C)c(NC(=O)/C=C/CN2CCCCC2)cc1Nc1nccc(-n2ccc3ccccc32)n1.
What is the InChIKey of N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide?
The InChIKey is HYXBERVNWFOGGP-JXLJOQMSSA-N. The full InChI is InChI=1S/C33H42N8O2.C30H38N8O2.C29H35N7O3.C27H29N7O2.C26H31N7O2S/c1-38(2)21-22-39(3)29-24-30(43-4)27(23-26(29)35-32(42)13-10-19-40-17-8-5-9-18-40)36-33-34-16-14-31(37-33)41-20-15-25-11-6-7-12-28(25)41;1-35(2)16-9-12-29(39)32-23-20-24(27(40-6)21-26(23)37(5)19-18-36(3)4)33-30-31-15-13-28(34-30)38-17-14-22-10-7-8-11-25(22)38;1-34(2)16-17-35(3)25-20-26(39-5)23(19-22(25)31-28(37)11-8-18-38-4)32-29-30-14-12-27(33-29)36-15-13-21-9-6-7-10-24(21)36;1-5-26(35)29-20-14-21(24(36-4)15-23(20)33-16-19(17-33)32(2)3)30-27-28-12-10-25(31-27)34-13-11-18-8-6-7-9-22(18)34;1-6-36(34)30-20-17-21(24(35-5)18-23(20)32(4)16-15-31(2)3)28-26-27-13-11-25(29-26)33-14-12-19-9-7-8-10-22(19)33/h6-7,10-16,20,23-24H,5,8-9,17-19,21-22H2,1-4H3,(H,35,42)(H,34,36,37);7-15,17,20-21H,16,18-19H2,1-6H3,(H,32,39)(H,31,33,34);6-15,19-20H,16-18H2,1-5H3,(H,31,37)(H,30,32,33);5-15,19H,1,16-17H2,2-4H3,(H,29,35)(H,28,30,31);6-14,17-18,30H,1,15-16H2,2-5H3,(H,27,28,29)/b13-10+;12-9+;11-8+;;.
What are the key properties of N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide?
N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide has a molecular weight of 2644.31 g/mol, XLogP of 22.13, 55 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)azetidin-1-yl]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]ethenesulfinamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-methoxybut-2-enamide;(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[(4-indol-1-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-4-piperidin-1-ylbut-2-enamide is sourced from PubChem (CID 158628546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).