N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide

C138H110F8N20O19 — CID 159838738

IUPACN-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide
SMILESC=C(C(=O)C(C)C)C(O)c1cccc(OCC#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=CC(=O)N1CCCC(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)C1.C=CC(=O)Nc1cccc(C#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=Cc1nccn1-c1cccc(OCC#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1
InChIInChI=1S/C38H32F2N4O6.C36H26F2N6O4.C33H23F2N5O4.C31H29F2N5O5/c1-22(2)35(46)23(3)36(47)25-6-4-8-29(19-25)49-17-5-7-27-20-30-32(15-16-41-37(30)42-27)50-33-14-13-28(21-31(33)40)43-38(48)44-34(45)18-24-9-11-26(39)12-10-24;1-2-33-39-16-17-44(33)27-6-3-7-28(22-27)47-18-4-5-25-20-29-31(14-15-40-35(29)41-25)48-32-13-12-26(21-30(32)38)42-36(46)43-34(45)19-23-8-10-24(37)11-9-23;1-2-30(41)37-23-5-3-4-20(16-23)8-11-24-18-26-28(14-15-36-32(26)38-24)44-29-13-12-25(19-27(29)35)39-33(43)40-31(42)17-21-6-9-22(34)10-7-21;1-2-29(40)38-13-3-4-23(17-38)42-18-22-15-24-26(11-12-34-30(24)35-22)43-27-10-9-21(16-25(27)33)36-31(41)37-28(39)14-19-5-7-20(32)8-6-19/h4,6,8-16,19-22,36,47H,3,17-18H2,1-2H3,(H,41,42)(H2,43,44,45,48);2-3,6-17,20-22H,1,18-19H2,(H,40,41)(H2,42,43,45,46);2-7,9-10,12-16,18-19H,1,17H2,(H,36,38)(H,37,41)(H2,39,40,42,43);2,5-12,15-16,23H,1,3-4,13-14,17-18H2,(H,34,35)(H2,36,37,39,41)
InChIKeyNOKKLTWAOOLFDU-UHFFFAOYSA-N
MW2504.50 g/mol
LogP24.82
Rot. Bonds36

About N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide

N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide (PubChem CID 159838738) has the molecular formula C138H110F8N20O19 and a molecular weight of 2504.50 g/mol. Its IUPAC name is N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide
PubChem CID159838738
Molecular FormulaC138H110F8N20O19
Molecular Weight2504.50 g/mol
Exact Mass2502.81
IUPAC NameN-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide
SMILESC=C(C(=O)C(C)C)C(O)c1cccc(OCC#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=CC(=O)N1CCCC(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)C1.C=CC(=O)Nc1cccc(C#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=Cc1nccn1-c1cccc(OCC#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1
InChIInChI=1S/C38H32F2N4O6.C36H26F2N6O4.C33H23F2N5O4.C31H29F2N5O5/c1-22(2)35(46)23(3)36(47)25-6-4-8-29(19-25)49-17-5-7-27-20-30-32(15-16-41-37(30)42-27)50-33-14-13-28(21-31(33)40)43-38(48)44-34(45)18-24-9-11-26(39)12-10-24;1-2-33-39-16-17-44(33)27-6-3-7-28(22-27)47-18-4-5-25-20-29-31(14-15-40-35(29)41-25)48-32-13-12-26(21-30(32)38)42-36(46)43-34(45)19-23-8-10-24(37)11-9-23;1-2-30(41)37-23-5-3-4-20(16-23)8-11-24-18-26-28(14-15-36-32(26)38-24)44-29-13-12-25(19-27(29)35)39-33(43)40-31(42)17-21-6-9-22(34)10-7-21;1-2-29(40)38-13-3-4-23(17-38)42-18-22-15-24-26(11-12-34-30(24)35-22)43-27-10-9-21(16-25(27)33)36-31(41)37-28(39)14-19-5-7-20(32)8-6-19/h4,6,8-16,19-22,36,47H,3,17-18H2,1-2H3,(H,41,42)(H2,43,44,45,48);2-3,6-17,20-22H,1,18-19H2,(H,40,41)(H2,42,43,45,46);2-7,9-10,12-16,18-19H,1,17H2,(H,36,38)(H,37,41)(H2,39,40,42,43);2,5-12,15-16,23H,1,3-4,13-14,17-18H2,(H,34,35)(H2,36,37,39,41)
InChIKeyNOKKLTWAOOLFDU-UHFFFAOYSA-N
XLogP24.82
TPSA516.66 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.50
LogP ≤ 524.82
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide with MolForge

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2-hydroxyethyl)benzamide;[2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrazin-2-ylbenzamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyridin-3-ylbenzamide;2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159910561
[3-[cyclohexylmethoxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[3-[3-(cyclohexylmethoxy)phenyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;cyclohexyl-[4-[3-[2-methyl-6-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]piperazin-1-yl]methanone;[3-[hydroxy-(3-methylphenyl)methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-(3-methylbenzoyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;[2-methyl-3-[1-(3-methylphenyl)ethyl]imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone;N-(2-methyl-3-phenylimidazo[1,2-a]pyridin-6-yl)oxane-4-carboxamide
CID 157169588
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide
CID 157326962
N-[[3-fluoro-4-[[2-[3-[(5-fluoro-1,2,4-oxadiazol-3-yl)methoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;[1-[3-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]prop-2-ynoxy]-2-methylpropan-2-yl] (E)-but-2-enoate;N-[2-[3-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]prop-2-ynyl-methylamino]ethyl]-N-methylprop-2-enamide;N-[[3-fluoro-4-[[2-[[3-(3-methylbut-2-enoyl)phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 157360019
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
(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide;N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 158545340
(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide
CID 160406996
(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide);2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 162004245
N-[3-[6-[4-[[6-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]hexyl-methylamino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-5-fluoro-2-methylphenyl]-2-fluoro-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[2-[[methyl-[2-[3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)phenoxy]ethyl]amino]methyl]morpholin-4-yl]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide;2-fluoro-N-[5-fluoro-2-methyl-3-[6-[4-[[methyl-[7-[6-methyl-5-(4-methylidene-2-oxo-1,3-diazinan-1-yl)-3-pyridinyl]-7-oxoheptyl]amino]methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-4-(2-hydroxypropan-2-yl)benzamide
CID 167690644

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide?
The IUPAC name of N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide (CID 159838738) is N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide.
What is the SMILES notation for N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide?
The canonical SMILES for N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide is C=C(C(=O)C(C)C)C(O)c1cccc(OCC#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=CC(=O)N1CCCC(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)C1.C=CC(=O)Nc1cccc(C#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=Cc1nccn1-c1cccc(OCC#Cc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.
What is the InChIKey of N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide?
The InChIKey is NOKKLTWAOOLFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32F2N4O6.C36H26F2N6O4.C33H23F2N5O4.C31H29F2N5O5/c1-22(2)35(46)23(3)36(47)25-6-4-8-29(19-25)49-17-5-7-27-20-30-32(15-16-41-37(30)42-27)50-33-14-13-28(21-31(33)40)43-38(48)44-34(45)18-24-9-11-26(39)12-10-24;1-2-33-39-16-17-44(33)27-6-3-7-28(22-27)47-18-4-5-25-20-29-31(14-15-40-35(29)41-25)48-32-13-12-26(21-30(32)38)42-36(46)43-34(45)19-23-8-10-24(37)11-9-23;1-2-30(41)37-23-5-3-4-20(16-23)8-11-24-18-26-28(14-15-36-32(26)38-24)44-29-13-12-25(19-27(29)35)39-33(43)40-31(42)17-21-6-9-22(34)10-7-21;1-2-29(40)38-13-3-4-23(17-38)42-18-22-15-24-26(11-12-34-30(24)35-22)43-27-10-9-21(16-25(27)33)36-31(41)37-28(39)14-19-5-7-20(32)8-6-19/h4,6,8-16,19-22,36,47H,3,17-18H2,1-2H3,(H,41,42)(H2,43,44,45,48);2-3,6-17,20-22H,1,18-19H2,(H,40,41)(H2,42,43,45,46);2-7,9-10,12-16,18-19H,1,17H2,(H,36,38)(H,37,41)(H2,39,40,42,43);2,5-12,15-16,23H,1,3-4,13-14,17-18H2,(H,34,35)(H2,36,37,39,41).
What are the key properties of N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide?
N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide has a molecular weight of 2504.50 g/mol, XLogP of 24.82, 36 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-[3-[3-(2-ethenylimidazol-1-yl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[3-[2-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]ethynyl]phenyl]prop-2-enamide;N-[[3-fluoro-4-[[2-[3-[3-(1-hydroxy-4-methyl-2-methylidene-3-oxopentyl)phenoxy]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-(4-fluorophenyl)-N-[[3-fluoro-4-[[2-[(1-prop-2-enoylpiperidin-3-yl)oxymethyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]acetamide is sourced from PubChem (CID 159838738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).