N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

C213H201F14N33O28 — CID 158070985

IUPACN-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESC=C(C(=O)N(C)C)C(O)CCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=C(Cn1cccn1)C(=O)CCCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=CC(=O)CCCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=CC(=O)Nc1cccc(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=Cc1nccn1CC#CCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=Cc1nccn1CCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.Cc1cc(C)n(C(=O)N(C)CCCCCc2cc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccn2)n1
InChIInChI=1S/C32H34F2N6O4.C32H25F2N5O5.C32H31F2N5O4.C30H25F2N5O3.C30H32F2N4O5.C29H27F2N5O3.C28H27F2N3O4/c1-21-17-22(2)40(38-21)32(43)39(3)16-6-4-5-7-25-19-27(14-15-35-25)44-29-13-12-26(20-28(29)34)36-31(42)37-30(41)18-23-8-10-24(33)11-9-23;1-2-29(40)36-21-4-3-5-24(15-21)43-18-23-16-25-27(12-13-35-31(25)37-23)44-28-11-10-22(17-26(28)34)38-32(42)39-30(41)14-19-6-8-20(33)9-7-19;1-22(21-39-17-5-15-36-39)29(40)7-4-2-3-6-25-19-27(14-16-35-25)43-30-13-12-26(20-28(30)34)37-32(42)38-31(41)18-23-8-10-24(33)11-9-23;1-2-28-34-15-17-37(28)16-5-3-4-6-23-19-25(13-14-33-23)40-27-12-11-24(20-26(27)32)35-30(39)36-29(38)18-21-7-9-22(31)10-8-21;1-19(29(39)36(2)3)26(37)7-5-4-6-22-17-24(14-15-33-22)41-27-13-12-23(18-25(27)32)34-30(40)35-28(38)16-20-8-10-21(31)11-9-20;1-2-27-33-14-16-36(27)15-4-3-5-22-18-24(12-13-32-22)39-26-11-10-23(19-25(26)31)34-29(38)35-28(37)17-20-6-8-21(30)9-7-20;1-2-23(34)7-5-3-4-6-21-17-24(14-15-31-21)37-26-13-12-22(18-25(26)30)32-28(36)33-27(35)16-19-8-10-20(29)11-9-19/h8-15,17,19-20H,4-7,16,18H2,1-3H3,(H2,36,37,41,42);2-13,15-17H,1,14,18H2,(H,35,37)(H,36,40)(H2,38,39,41,42);5,8-17,19-20H,1-4,6-7,18,21H2,(H2,37,38,41,42);2,7-15,17,19-20H,1,4,6,16,18H2,(H2,35,36,38,39);8-15,17-18,26,37H,1,4-7,16H2,2-3H3,(H2,34,35,38,40);2,6-14,16,18-19H,1,3-5,15,17H2,(H2,34,35,37,38);2,8-15,17-18H,1,3-7,16H2,(H2,32,33,35,36)
InChIKeyFLUWKCUXTSQHRK-UHFFFAOYSA-N
MW3937.13 g/mol
LogP40.65
Rot. Bonds79

About N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (PubChem CID 158070985) has the molecular formula C213H201F14N33O28 and a molecular weight of 3937.13 g/mol. Its IUPAC name is N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
PubChem CID158070985
Molecular FormulaC213H201F14N33O28
Molecular Weight3937.13 g/mol
Exact Mass3934.51
IUPAC NameN-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESC=C(C(=O)N(C)C)C(O)CCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=C(Cn1cccn1)C(=O)CCCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=CC(=O)CCCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=CC(=O)Nc1cccc(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=Cc1nccn1CC#CCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=Cc1nccn1CCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.Cc1cc(C)n(C(=O)N(C)CCCCCc2cc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccn2)n1
InChIInChI=1S/C32H34F2N6O4.C32H25F2N5O5.C32H31F2N5O4.C30H25F2N5O3.C30H32F2N4O5.C29H27F2N5O3.C28H27F2N3O4/c1-21-17-22(2)40(38-21)32(43)39(3)16-6-4-5-7-25-19-27(14-15-35-25)44-29-13-12-26(20-28(29)34)36-31(42)37-30(41)18-23-8-10-24(33)11-9-23;1-2-29(40)36-21-4-3-5-24(15-21)43-18-23-16-25-27(12-13-35-31(25)37-23)44-28-11-10-22(17-26(28)34)38-32(42)39-30(41)14-19-6-8-20(33)9-7-19;1-22(21-39-17-5-15-36-39)29(40)7-4-2-3-6-25-19-27(14-16-35-25)43-30-13-12-26(20-28(30)34)37-32(42)38-31(41)18-23-8-10-24(33)11-9-23;1-2-28-34-15-17-37(28)16-5-3-4-6-23-19-25(13-14-33-23)40-27-12-11-24(20-26(27)32)35-30(39)36-29(38)18-21-7-9-22(31)10-8-21;1-19(29(39)36(2)3)26(37)7-5-4-6-22-17-24(14-15-33-22)41-27-13-12-23(18-25(27)32)34-30(40)35-28(38)16-20-8-10-21(31)11-9-20;1-2-27-33-14-16-36(27)15-4-3-5-22-18-24(12-13-32-22)39-26-11-10-23(19-25(26)31)34-29(38)35-28(37)17-20-6-8-21(30)9-7-20;1-2-23(34)7-5-3-4-6-21-17-24(14-15-31-21)37-26-13-12-22(18-25(26)30)32-28(36)33-27(35)16-19-8-10-20(29)11-9-19/h8-15,17,19-20H,4-7,16,18H2,1-3H3,(H2,36,37,41,42);2-13,15-17H,1,14,18H2,(H,35,37)(H,36,40)(H2,38,39,41,42);5,8-17,19-20H,1-4,6-7,18,21H2,(H2,37,38,41,42);2,7-15,17,19-20H,1,4,6,16,18H2,(H2,35,36,38,39);8-15,17-18,26,37H,1,4-7,16H2,2-3H3,(H2,34,35,38,40);2,6-14,16,18-19H,1,3-5,15,17H2,(H2,34,35,37,38);2,8-15,17-18H,1,3-7,16H2,(H2,32,33,35,36)
InChIKeyFLUWKCUXTSQHRK-UHFFFAOYSA-N
XLogP40.65
TPSA782.63 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds79
Heavy Atoms288
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003937.13
LogP ≤ 540.65
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (CID 158070985) is N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is C=C(C(=O)N(C)C)C(O)CCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=C(Cn1cccn1)C(=O)CCCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=CC(=O)CCCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=CC(=O)Nc1cccc(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=Cc1nccn1CC#CCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.C=Cc1nccn1CCCCc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1.Cc1cc(C)n(C(=O)N(C)CCCCCc2cc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccn2)n1.
What is the InChIKey of N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FLUWKCUXTSQHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N6O4.C32H25F2N5O5.C32H31F2N5O4.C30H25F2N5O3.C30H32F2N4O5.C29H27F2N5O3.C28H27F2N3O4/c1-21-17-22(2)40(38-21)32(43)39(3)16-6-4-5-7-25-19-27(14-15-35-25)44-29-13-12-26(20-28(29)34)36-31(42)37-30(41)18-23-8-10-24(33)11-9-23;1-2-29(40)36-21-4-3-5-24(15-21)43-18-23-16-25-27(12-13-35-31(25)37-23)44-28-11-10-22(17-26(28)34)38-32(42)39-30(41)14-19-6-8-20(33)9-7-19;1-22(21-39-17-5-15-36-39)29(40)7-4-2-3-6-25-19-27(14-16-35-25)43-30-13-12-26(20-28(30)34)37-32(42)38-31(41)18-23-8-10-24(33)11-9-23;1-2-28-34-15-17-37(28)16-5-3-4-6-23-19-25(13-14-33-23)40-27-12-11-24(20-26(27)32)35-30(39)36-29(38)18-21-7-9-22(31)10-8-21;1-19(29(39)36(2)3)26(37)7-5-4-6-22-17-24(14-15-33-22)41-27-13-12-23(18-25(27)32)34-30(40)35-28(38)16-20-8-10-21(31)11-9-20;1-2-27-33-14-16-36(27)15-4-3-5-22-18-24(12-13-32-22)39-26-11-10-23(19-25(26)31)34-29(38)35-28(37)17-20-6-8-21(30)9-7-20;1-2-23(34)7-5-3-4-6-21-17-24(14-15-31-21)37-26-13-12-22(18-25(26)30)32-28(36)33-27(35)16-19-8-10-20(29)11-9-19/h8-15,17,19-20H,4-7,16,18H2,1-3H3,(H2,36,37,41,42);2-13,15-17H,1,14,18H2,(H,35,37)(H,36,40)(H2,38,39,41,42);5,8-17,19-20H,1-4,6-7,18,21H2,(H2,37,38,41,42);2,7-15,17,19-20H,1,4,6,16,18H2,(H2,35,36,38,39);8-15,17-18,26,37H,1,4-7,16H2,2-3H3,(H2,34,35,38,40);2,6-14,16,18-19H,1,3-5,15,17H2,(H2,34,35,37,38);2,8-15,17-18H,1,3-7,16H2,(H2,32,33,35,36).
What are the key properties of N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 3937.13 g/mol, XLogP of 40.65, 79 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-[4-(2-ethenylimidazol-1-yl)butyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[5-(2-ethenylimidazol-1-yl)pent-3-ynyl]-4-pyridinyl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;7-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-3-hydroxy-N,N-dimethyl-2-methylideneheptanamide;N-[5-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]pentyl]-N,3,5-trimethylpyrazole-1-carboxamide;N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-(6-oxooct-7-enyl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[3-fluoro-4-[[2-[6-oxo-7-(pyrazol-1-ylmethyl)oct-7-enyl]-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 158070985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).