N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate

C141H145F5N28O10 — CID 167571743

IUPACN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate
SMILESC=C(C)C(=O)Nc1cc(Nc2ncc(C(=O)N(C)Cc3ccc(F)cc3)c(-c3cn(C)c4ccccc34)n2)c(C)cc1N1CCN(C)CC1.C=CC(=O)Cc1ccnc2ccc(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc12.C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N1CCC2(CCN(C)CC2)CC1.CC#CC(=O)Nc1cc(Nc2ncc(NC(=O)/C=C\c3ccc(F)cc3)c(-c3cn(C)c4ccccc34)n2)c(OC(F)(F)F)cc1N(C)CCN(C)C
InChIInChI=1S/C39H47N7O4.C38H36F4N8O3.C38H41FN8O2.C26H21N5O/c1-6-35(47)41-30-21-31(34(49-5)22-33(30)45-19-15-39(16-20-45)13-17-44(4)18-14-39)42-38-40-23-28(37(48)50-25(2)3)36(43-38)29-24-46(26-11-12-26)32-10-8-7-9-27(29)32;1-6-9-34(51)44-28-20-29(33(53-38(40,41)42)21-32(28)49(4)19-18-48(2)3)46-37-43-22-30(45-35(52)17-14-24-12-15-25(39)16-13-24)36(47-37)27-23-50(5)31-11-8-7-10-26(27)31;1-24(2)36(48)41-32-20-31(25(3)19-34(32)47-17-15-44(4)16-18-47)42-38-40-21-29(37(49)46(6)22-26-11-13-27(39)14-12-26)35(43-38)30-23-45(5)33-10-8-7-9-28(30)33;1-3-19(32)14-17-10-12-27-23-9-8-18(15-21(17)23)29-26-28-13-11-24(30-26)22-16-31(2)25-7-5-4-6-20(22)25/h6-10,21-26H,1,11-20H2,2-5H3,(H,41,47)(H,40,42,43);7-8,10-17,20-23H,18-19H2,1-5H3,(H,44,51)(H,45,52)(H,43,46,47);7-14,19-21,23H,1,15-18,22H2,2-6H3,(H,41,48)(H,40,42,43);3-13,15-16H,1,14H2,2H3,(H,28,29,30)/b;17-14-;;
InChIKeyFZOZPYAVJVPPFO-AXMVFRCWSA-N
MW2486.89 g/mol
LogP25.81
Rot. Bonds37

About N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate (PubChem CID 167571743) has the molecular formula C141H145F5N28O10 and a molecular weight of 2486.89 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate
PubChem CID167571743
Molecular FormulaC141H145F5N28O10
Molecular Weight2486.89 g/mol
Exact Mass2485.16
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate
SMILESC=C(C)C(=O)Nc1cc(Nc2ncc(C(=O)N(C)Cc3ccc(F)cc3)c(-c3cn(C)c4ccccc34)n2)c(C)cc1N1CCN(C)CC1.C=CC(=O)Cc1ccnc2ccc(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc12.C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N1CCC2(CCN(C)CC2)CC1.CC#CC(=O)Nc1cc(Nc2ncc(NC(=O)/C=C\c3ccc(F)cc3)c(-c3cn(C)c4ccccc34)n2)c(OC(F)(F)F)cc1N(C)CCN(C)C
InChIInChI=1S/C39H47N7O4.C38H36F4N8O3.C38H41FN8O2.C26H21N5O/c1-6-35(47)41-30-21-31(34(49-5)22-33(30)45-19-15-39(16-20-45)13-17-44(4)18-14-39)42-38-40-23-28(37(48)50-25(2)3)36(43-38)29-24-46(26-11-12-26)32-10-8-7-9-27(29)32;1-6-9-34(51)44-28-20-29(33(53-38(40,41)42)21-32(28)49(4)19-18-48(2)3)46-37-43-22-30(45-35(52)17-14-24-12-15-25(39)16-13-24)36(47-37)27-23-50(5)31-11-8-7-10-26(27)31;1-24(2)36(48)41-32-20-31(25(3)19-34(32)47-17-15-44(4)16-18-47)42-38-40-21-29(37(49)46(6)22-26-11-13-27(39)14-12-26)35(43-38)30-23-45(5)33-10-8-7-9-28(30)33;1-3-19(32)14-17-10-12-27-23-9-8-18(15-21(17)23)29-26-28-13-11-24(30-26)22-16-31(2)25-7-5-4-6-20(22)25/h6-10,21-26H,1,11-20H2,2-5H3,(H,41,47)(H,40,42,43);7-8,10-17,20-23H,18-19H2,1-5H3,(H,44,51)(H,45,52)(H,43,46,47);7-14,19-21,23H,1,15-18,22H2,2-6H3,(H,41,48)(H,40,42,43);3-13,15-16H,1,14H2,2H3,(H,28,29,30)/b;17-14-;;
InChIKeyFZOZPYAVJVPPFO-AXMVFRCWSA-N
XLogP25.81
TPSA401.83 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002486.89
LogP ≤ 525.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate (CID 167571743) is N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate is C=C(C)C(=O)Nc1cc(Nc2ncc(C(=O)N(C)Cc3ccc(F)cc3)c(-c3cn(C)c4ccccc34)n2)c(C)cc1N1CCN(C)CC1.C=CC(=O)Cc1ccnc2ccc(Nc3nccc(-c4cn(C)c5ccccc45)n3)cc12.C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C4CC4)c4ccccc34)n2)c(OC)cc1N1CCC2(CCN(C)CC2)CC1.CC#CC(=O)Nc1cc(Nc2ncc(NC(=O)/C=C\c3ccc(F)cc3)c(-c3cn(C)c4ccccc34)n2)c(OC(F)(F)F)cc1N(C)CCN(C)C.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate?
The InChIKey is FZOZPYAVJVPPFO-AXMVFRCWSA-N. The full InChI is InChI=1S/C39H47N7O4.C38H36F4N8O3.C38H41FN8O2.C26H21N5O/c1-6-35(47)41-30-21-31(34(49-5)22-33(30)45-19-15-39(16-20-45)13-17-44(4)18-14-39)42-38-40-23-28(37(48)50-25(2)3)36(43-38)29-24-46(26-11-12-26)32-10-8-7-9-27(29)32;1-6-9-34(51)44-28-20-29(33(53-38(40,41)42)21-32(28)49(4)19-18-48(2)3)46-37-43-22-30(45-35(52)17-14-24-12-15-25(39)16-13-24)36(47-37)27-23-50(5)31-11-8-7-10-26(27)31;1-24(2)36(48)41-32-20-31(25(3)19-34(32)47-17-15-44(4)16-18-47)42-38-40-21-29(37(49)46(6)22-26-11-13-27(39)14-12-26)35(43-38)30-23-45(5)33-10-8-7-9-28(30)33;1-3-19(32)14-17-10-12-27-23-9-8-18(15-21(17)23)29-26-28-13-11-24(30-26)22-16-31(2)25-7-5-4-6-20(22)25/h6-10,21-26H,1,11-20H2,2-5H3,(H,41,47)(H,40,42,43);7-8,10-17,20-23H,18-19H2,1-5H3,(H,44,51)(H,45,52)(H,43,46,47);7-14,19-21,23H,1,15-18,22H2,2-6H3,(H,41,48)(H,40,42,43);3-13,15-16H,1,14H2,2H3,(H,28,29,30)/b;17-14-;;.
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate?
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate has a molecular weight of 2486.89 g/mol, XLogP of 25.81, 37 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-[[(Z)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-4-(trifluoromethoxy)phenyl]but-2-ynamide;N-[(4-fluorophenyl)methyl]-N-methyl-4-(1-methylindol-3-yl)-2-[2-methyl-4-(4-methylpiperazin-1-yl)-5-(2-methylprop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[6-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]quinolin-4-yl]but-3-en-2-one;propan-2-yl 4-(1-cyclopropylindol-3-yl)-2-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-5-(prop-2-enoylamino)anilino]pyrimidine-5-carboxylate is sourced from PubChem (CID 167571743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).