6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide

C212H235Cl2F6N59O12 — CID 158885142

IUPAC6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
SMILESCCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)Cc3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)N(C)c3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCN(c2ccc(Nc3cc(-n4ccnc4Nc4c(C)cccc4C)ncn3)cc2)CC1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3C)ncn2)cc1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3Cl)ncn2)cc1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)N(C)c2cccc(C)c2)c1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)Nc2cccc(C(C)(F)F)c2)c1.Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
InChIInChI=1S/C31H36F2N8O2.C31H35F2N7O2.C29H32F2N8O2.C29H34N8O2.C27H32N8.C24H26N6O2.C23H23ClN6O2.C18H17ClN8/c1-5-40-12-7-10-25(40)19-35-27-18-28(37-20-36-27)41-13-11-34-30(41)38-23-14-21(15-26(17-23)43-4)29(42)39(3)24-9-6-8-22(16-24)31(2,32)33;1-4-39-11-6-9-25(39)19-35-28-18-29(37-20-36-28)40-12-10-34-30(40)38-24-15-22(16-26(17-24)42-3)27(41)14-21-7-5-8-23(13-21)31(2,32)33;1-29(30,31)21-6-5-7-22(16-21)36-27(40)20-14-23(17-24(15-20)41-2)37-28-33-9-13-39(28)26-18-25(34-19-35-26)32-8-12-38-10-3-4-11-38;1-21-7-6-8-24(15-21)35(2)28(38)22-16-23(18-25(17-22)39-3)34-29-31-10-14-37(29)27-19-26(32-20-33-27)30-9-13-36-11-4-5-12-36;1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3;1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3;1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2;1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h6,8-9,11,13-18,20,25H,5,7,10,12,19H2,1-4H3,(H,34,38)(H,35,36,37);5,7-8,10,12-13,15-18,20,25H,4,6,9,11,14,19H2,1-3H3,(H,34,38)(H,35,36,37);5-7,9,13-19H,3-4,8,10-12H2,1-2H3,(H,33,37)(H,36,40)(H,32,34,35);6-8,10,14-20H,4-5,9,11-13H2,1-3H3,(H,31,34)(H,30,32,33);5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31);4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28);3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28);3-11H,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyJDNOAZFDDKKUAL-UHFFFAOYSA-N
MW3986.51 g/mol
LogP40.02
Rot. Bonds74

About 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide

6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide (PubChem CID 158885142) has the molecular formula C212H235Cl2F6N59O12 and a molecular weight of 3986.51 g/mol. Its IUPAC name is 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
PubChem CID158885142
Molecular FormulaC212H235Cl2F6N59O12
Molecular Weight3986.51 g/mol
Exact Mass3982.89
IUPAC Name6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide
SMILESCCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)Cc3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)N(C)c3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCN(c2ccc(Nc3cc(-n4ccnc4Nc4c(C)cccc4C)ncn3)cc2)CC1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3C)ncn2)cc1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3Cl)ncn2)cc1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)N(C)c2cccc(C)c2)c1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)Nc2cccc(C(C)(F)F)c2)c1.Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1
InChIInChI=1S/C31H36F2N8O2.C31H35F2N7O2.C29H32F2N8O2.C29H34N8O2.C27H32N8.C24H26N6O2.C23H23ClN6O2.C18H17ClN8/c1-5-40-12-7-10-25(40)19-35-27-18-28(37-20-36-27)41-13-11-34-30(41)38-23-14-21(15-26(17-23)43-4)29(42)39(3)24-9-6-8-22(16-24)31(2,32)33;1-4-39-11-6-9-25(39)19-35-28-18-29(37-20-36-28)40-12-10-34-30(40)38-24-15-22(16-26(17-24)42-3)27(41)14-21-7-5-8-23(13-21)31(2,32)33;1-29(30,31)21-6-5-7-22(16-21)36-27(40)20-14-23(17-24(15-20)41-2)37-28-33-9-13-39(28)26-18-25(34-19-35-26)32-8-12-38-10-3-4-11-38;1-21-7-6-8-24(15-21)35(2)28(38)22-16-23(18-25(17-22)39-3)34-29-31-10-14-37(29)27-19-26(32-20-33-27)30-9-13-36-11-4-5-12-36;1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3;1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3;1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2;1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h6,8-9,11,13-18,20,25H,5,7,10,12,19H2,1-4H3,(H,34,38)(H,35,36,37);5,7-8,10,12-13,15-18,20,25H,4,6,9,11,14,19H2,1-3H3,(H,34,38)(H,35,36,37);5-7,9,13-19H,3-4,8,10-12H2,1-2H3,(H,33,37)(H,36,40)(H,32,34,35);6-8,10,14-20H,4-5,9,11-13H2,1-3H3,(H,31,34)(H,30,32,33);5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31);4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28);3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28);3-11H,1-2H3,(H,20,25)(H,21,22,24)
InChIKeyJDNOAZFDDKKUAL-UHFFFAOYSA-N
XLogP40.02
TPSA739.17 Ų
H-Bond Donors17
H-Bond Acceptors68
Rotatable Bonds74
Heavy Atoms291
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003986.51
LogP ≤ 540.02
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The IUPAC name of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide (CID 158885142) is 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide.
What is the SMILES notation for 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The canonical SMILES for 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide is CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)Cc3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCCC1CNc1cc(-n2ccnc2Nc2cc(OC)cc(C(=O)N(C)c3cccc(C(C)(F)F)c3)c2)ncn1.CCN1CCN(c2ccc(Nc3cc(-n4ccnc4Nc4c(C)cccc4C)ncn3)cc2)CC1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3C)ncn2)cc1.COCCOc1ccc(Nc2cc(-n3ccnc3Nc3c(C)cccc3Cl)ncn2)cc1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)N(C)c2cccc(C)c2)c1.COc1cc(Nc2nccn2-c2cc(NCCN3CCCC3)ncn2)cc(C(=O)Nc2cccc(C(C)(F)F)c2)c1.Cc1cccc(Cl)c1Nc1nccn1-c1cc(Nc2cnn(C)c2)ncn1.
What is the InChIKey of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
The InChIKey is JDNOAZFDDKKUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F2N8O2.C31H35F2N7O2.C29H32F2N8O2.C29H34N8O2.C27H32N8.C24H26N6O2.C23H23ClN6O2.C18H17ClN8/c1-5-40-12-7-10-25(40)19-35-27-18-28(37-20-36-27)41-13-11-34-30(41)38-23-14-21(15-26(17-23)43-4)29(42)39(3)24-9-6-8-22(16-24)31(2,32)33;1-4-39-11-6-9-25(39)19-35-28-18-29(37-20-36-28)40-12-10-34-30(40)38-24-15-22(16-26(17-24)42-3)27(41)14-21-7-5-8-23(13-21)31(2,32)33;1-29(30,31)21-6-5-7-22(16-21)36-27(40)20-14-23(17-24(15-20)41-2)37-28-33-9-13-39(28)26-18-25(34-19-35-26)32-8-12-38-10-3-4-11-38;1-21-7-6-8-24(15-21)35(2)28(38)22-16-23(18-25(17-22)39-3)34-29-31-10-14-37(29)27-19-26(32-20-33-27)30-9-13-36-11-4-5-12-36;1-4-33-14-16-34(17-15-33)23-10-8-22(9-11-23)31-24-18-25(30-19-29-24)35-13-12-28-27(35)32-26-20(2)6-5-7-21(26)3;1-17-5-4-6-18(2)23(17)29-24-25-11-12-30(24)22-15-21(26-16-27-22)28-19-7-9-20(10-8-19)32-14-13-31-3;1-16-4-3-5-19(24)22(16)29-23-25-10-11-30(23)21-14-20(26-15-27-21)28-17-6-8-18(9-7-17)32-13-12-31-2;1-12-4-3-5-14(19)17(12)25-18-20-6-7-27(18)16-8-15(21-11-22-16)24-13-9-23-26(2)10-13/h6,8-9,11,13-18,20,25H,5,7,10,12,19H2,1-4H3,(H,34,38)(H,35,36,37);5,7-8,10,12-13,15-18,20,25H,4,6,9,11,14,19H2,1-3H3,(H,34,38)(H,35,36,37);5-7,9,13-19H,3-4,8,10-12H2,1-2H3,(H,33,37)(H,36,40)(H,32,34,35);6-8,10,14-20H,4-5,9,11-13H2,1-3H3,(H,31,34)(H,30,32,33);5-13,18-19H,4,14-17H2,1-3H3,(H,28,32)(H,29,30,31);4-12,15-16H,13-14H2,1-3H3,(H,25,29)(H,26,27,28);3-11,14-15H,12-13H2,1-2H3,(H,25,29)(H,26,27,28);3-11H,1-2H3,(H,20,25)(H,21,22,24).
What are the key properties of 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide?
6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide has a molecular weight of 3986.51 g/mol, XLogP of 40.02, 74 rotatable bonds, 17 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;6-[2-(2-chloro-6-methylanilino)imidazol-1-yl]-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine;N-[3-(1,1-difluoroethyl)phenyl]-3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxy-N-methylbenzamide;2-[3-(1,1-difluoroethyl)phenyl]-1-[3-[[1-[6-[(1-ethylpyrrolidin-2-yl)methylamino]pyrimidin-4-yl]imidazol-2-yl]amino]-5-methoxyphenyl]ethanone;N-[3-(1,1-difluoroethyl)phenyl]-3-methoxy-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]pyrimidin-4-amine;6-[2-(2,6-dimethylanilino)imidazol-1-yl]-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-4-amine;3-methoxy-N-methyl-N-(3-methylphenyl)-5-[[1-[6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]amino]benzamide is sourced from PubChem (CID 158885142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).