N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

C137H127F9N24O20S — CID 158648304

IUPACN-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESC/C=C/C(=O)COc1cccc(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=C(CN(C)CCN(C)CC#Cc1cc2c(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccnc2[nH]1)S(=O)(=O)C(C)(C)C.Cc1cc(C)n(C(=O)N2CCN(CC#Cc3cc4c(Oc5ccc(NC(=O)NC(=O)Cc6ccc(F)cc6)cc5F)ccnc4[nH]3)CC2)n1.O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(COCCCNC(=O)c4cccnc4F)cc23)c(F)c1
InChIInChI=1S/C36H40F2N6O5S.C35H32F2N8O4.C34H28F2N4O6.C32H27F3N6O5/c1-24(50(47,48)36(2,3)4)23-44(6)19-18-43(5)17-7-8-27-21-29-31(15-16-39-34(29)40-27)49-32-14-13-28(22-30(32)38)41-35(46)42-33(45)20-25-9-11-26(37)12-10-25;1-22-18-23(2)45(42-22)35(48)44-16-14-43(15-17-44)13-3-4-26-20-28-30(11-12-38-33(28)39-26)49-31-10-9-27(21-29(31)37)40-34(47)41-32(46)19-24-5-7-25(36)8-6-24;1-2-4-25(41)20-45-27-6-3-5-26(18-27)44-19-24-16-28-30(13-14-37-33(28)38-24)46-31-12-11-23(17-29(31)36)39-34(43)40-32(42)15-21-7-9-22(35)10-8-21;33-20-6-4-19(5-7-20)15-28(42)41-32(44)40-21-8-9-27(25(34)17-21)46-26-10-13-37-30-24(26)16-22(39-30)18-45-14-2-12-38-31(43)23-3-1-11-36-29(23)35/h9-16,21-22H,1,17-20,23H2,2-6H3,(H,39,40)(H2,41,42,45,46);5-12,18,20-21H,13-17,19H2,1-2H3,(H,38,39)(H2,40,41,46,47);2-14,16-18H,15,19-20H2,1H3,(H,37,38)(H2,39,40,42,43);1,3-11,13,16-17H,2,12,14-15,18H2,(H,37,39)(H,38,43)(H2,40,41,42,44)/b;;4-2+;
InChIKeyIBFXMHRFUXUNIV-LLMIBPSBSA-N
MW2632.72 g/mol
LogP22.46
Rot. Bonds42

About N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide

N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (PubChem CID 158648304) has the molecular formula C137H127F9N24O20S and a molecular weight of 2632.72 g/mol. Its IUPAC name is N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
PubChem CID158648304
Molecular FormulaC137H127F9N24O20S
Molecular Weight2632.72 g/mol
Exact Mass2630.92
IUPAC NameN-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
SMILESC/C=C/C(=O)COc1cccc(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=C(CN(C)CCN(C)CC#Cc1cc2c(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccnc2[nH]1)S(=O)(=O)C(C)(C)C.Cc1cc(C)n(C(=O)N2CCN(CC#Cc3cc4c(Oc5ccc(NC(=O)NC(=O)Cc6ccc(F)cc6)cc5F)ccnc4[nH]3)CC2)n1.O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(COCCCNC(=O)c4cccnc4F)cc23)c(F)c1
InChIInChI=1S/C36H40F2N6O5S.C35H32F2N8O4.C34H28F2N4O6.C32H27F3N6O5/c1-24(50(47,48)36(2,3)4)23-44(6)19-18-43(5)17-7-8-27-21-29-31(15-16-39-34(29)40-27)49-32-14-13-28(22-30(32)38)41-35(46)42-33(45)20-25-9-11-26(37)12-10-25;1-22-18-23(2)45(42-22)35(48)44-16-14-43(15-17-44)13-3-4-26-20-28-30(11-12-38-33(28)39-26)49-31-10-9-27(21-29(31)37)40-34(47)41-32(46)19-24-5-7-25(36)8-6-24;1-2-4-25(41)20-45-27-6-3-5-26(18-27)44-19-24-16-28-30(13-14-37-33(28)38-24)46-31-12-11-23(17-29(31)36)39-34(43)40-32(42)15-21-7-9-22(35)10-8-21;33-20-6-4-19(5-7-20)15-28(42)41-32(44)40-21-8-9-27(25(34)17-21)46-26-10-13-37-30-24(26)16-22(39-30)18-45-14-2-12-38-31(43)23-3-1-11-36-29(23)35/h9-16,21-22H,1,17-20,23H2,2-6H3,(H,39,40)(H2,41,42,45,46);5-12,18,20-21H,13-17,19H2,1-2H3,(H,38,39)(H2,40,41,46,47);2-14,16-18H,15,19-20H2,1H3,(H,37,38)(H2,39,40,42,43);1,3-11,13,16-17H,2,12,14-15,18H2,(H,37,39)(H,38,43)(H2,40,41,42,44)/b;;4-2+;
InChIKeyIBFXMHRFUXUNIV-LLMIBPSBSA-N
XLogP22.46
TPSA553.18 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002632.72
LogP ≤ 522.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide (CID 158648304) is N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is C/C=C/C(=O)COc1cccc(OCc2cc3c(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)ccnc3[nH]2)c1.C=C(CN(C)CCN(C)CC#Cc1cc2c(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)ccnc2[nH]1)S(=O)(=O)C(C)(C)C.Cc1cc(C)n(C(=O)N2CCN(CC#Cc3cc4c(Oc5ccc(NC(=O)NC(=O)Cc6ccc(F)cc6)cc5F)ccnc4[nH]3)CC2)n1.O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(COCCCNC(=O)c4cccnc4F)cc23)c(F)c1.
What is the InChIKey of N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is IBFXMHRFUXUNIV-LLMIBPSBSA-N. The full InChI is InChI=1S/C36H40F2N6O5S.C35H32F2N8O4.C34H28F2N4O6.C32H27F3N6O5/c1-24(50(47,48)36(2,3)4)23-44(6)19-18-43(5)17-7-8-27-21-29-31(15-16-39-34(29)40-27)49-32-14-13-28(22-30(32)38)41-35(46)42-33(45)20-25-9-11-26(37)12-10-25;1-22-18-23(2)45(42-22)35(48)44-16-14-43(15-17-44)13-3-4-26-20-28-30(11-12-38-33(28)39-26)49-31-10-9-27(21-29(31)37)40-34(47)41-32(46)19-24-5-7-25(36)8-6-24;1-2-4-25(41)20-45-27-6-3-5-26(18-27)44-19-24-16-28-30(13-14-37-33(28)38-24)46-31-12-11-23(17-29(31)36)39-34(43)40-32(42)15-21-7-9-22(35)10-8-21;33-20-6-4-19(5-7-20)15-28(42)41-32(44)40-21-8-9-27(25(34)17-21)46-26-10-13-37-30-24(26)16-22(39-30)18-45-14-2-12-38-31(43)23-3-1-11-36-29(23)35/h9-16,21-22H,1,17-20,23H2,2-6H3,(H,39,40)(H2,41,42,45,46);5-12,18,20-21H,13-17,19H2,1-2H3,(H,38,39)(H2,40,41,46,47);2-14,16-18H,15,19-20H2,1H3,(H,37,38)(H2,39,40,42,43);1,3-11,13,16-17H,2,12,14-15,18H2,(H,37,39)(H,38,43)(H2,40,41,42,44)/b;;4-2+;.
What are the key properties of N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide?
N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 2632.72 g/mol, XLogP of 22.46, 42 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-[3-[2-[2-tert-butylsulfonylprop-2-enyl(methyl)amino]ethyl-methylamino]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;N-[[4-[[2-[3-[4-(3,5-dimethylpyrazole-1-carbonyl)piperazin-1-yl]prop-1-ynyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]-3-fluorophenyl]carbamoyl]-2-(4-fluorophenyl)acetamide;2-fluoro-N-[3-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methoxy]propyl]pyridine-3-carboxamide;N-[[3-fluoro-4-[[2-[[3-[(E)-2-oxopent-3-enoxy]phenoxy]methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 158648304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).