(E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one

C151H159F16N19O12 — CID 167579761

IUPAC(E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one
SMILESCC#CC(=O)N1CCC(Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.CN(C)C(=O)/C=C/CN1CCC(Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.CN(C)C(=O)/C=C/CNC1(COc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CCCCC1.CNC(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1
InChIInChI=1S/C40H45F4N5O3.C38H41F4N5O3.C37H39F4N5O3.C36H34F4N4O3/c1-48(2)35(50)14-11-22-46-39(20-8-4-9-21-39)27-52-34-19-17-30(26-45-34)37(32(25-40(42,43)44)28-12-5-3-6-13-28)29-16-18-33-31(24-29)38(41)47-49(33)36-15-7-10-23-51-36;1-45(2)34(48)11-8-19-46-20-17-29(18-21-46)50-33-16-14-28(25-43-33)36(31(24-38(40,41)42)26-9-4-3-5-10-26)27-13-15-32-30(23-27)37(39)44-47(32)35-12-6-7-22-49-35;1-42-32(47)12-8-19-45-18-7-11-28(24-45)49-33-17-15-27(23-43-33)35(30(22-37(39,40)41)25-9-3-2-4-10-25)26-14-16-31-29(21-26)36(38)44-46(31)34-13-5-6-20-48-34;1-2-8-32(45)43-18-16-27(17-19-43)47-31-15-13-26(23-41-31)34(29(22-36(38,39)40)24-9-4-3-5-10-24)25-12-14-30-28(21-25)35(37)42-44(30)33-11-6-7-20-46-33/h3,5-6,11-14,16-19,24,26,36,46H,4,7-10,15,20-23,25,27H2,1-2H3;3-5,8-11,13-16,23,25,29,35H,6-7,12,17-22,24H2,1-2H3;2-4,8-10,12,14-17,21,23,28,34H,5-7,11,13,18-20,22,24H2,1H3,(H,42,47);3-5,9-10,12-15,21,23,27,33H,6-7,11,16-20,22H2,1H3/b14-11+,37-32-;11-8+,36-31-;12-8+,35-30-;34-29-/t;;28-,34?;/m..1./s1
InChIKeyHAEORMIZBKBZMG-NNKFCCHASA-N
MW2736.02 g/mol
LogP31.07
Rot. Bonds39

About (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one

(E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one (PubChem CID 167579761) has the molecular formula C151H159F16N19O12 and a molecular weight of 2736.02 g/mol. Its IUPAC name is (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one.

Molecular Properties

Compound Name(E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one
PubChem CID167579761
Molecular FormulaC151H159F16N19O12
Molecular Weight2736.02 g/mol
Exact Mass2734.22
IUPAC Name(E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one
SMILESCC#CC(=O)N1CCC(Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.CN(C)C(=O)/C=C/CN1CCC(Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.CN(C)C(=O)/C=C/CNC1(COc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CCCCC1.CNC(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1
InChIInChI=1S/C40H45F4N5O3.C38H41F4N5O3.C37H39F4N5O3.C36H34F4N4O3/c1-48(2)35(50)14-11-22-46-39(20-8-4-9-21-39)27-52-34-19-17-30(26-45-34)37(32(25-40(42,43)44)28-12-5-3-6-13-28)29-16-18-33-31(24-29)38(41)47-49(33)36-15-7-10-23-51-36;1-45(2)34(48)11-8-19-46-20-17-29(18-21-46)50-33-16-14-28(25-43-33)36(31(24-38(40,41)42)26-9-4-3-5-10-26)27-13-15-32-30(23-27)37(39)44-47(32)35-12-6-7-22-49-35;1-42-32(47)12-8-19-45-18-7-11-28(24-45)49-33-17-15-27(23-43-33)35(30(22-37(39,40)41)25-9-3-2-4-10-25)26-14-16-31-29(21-26)36(38)44-46(31)34-13-5-6-20-48-34;1-2-8-32(45)43-18-16-27(17-19-43)47-31-15-13-26(23-41-31)34(29(22-36(38,39)40)24-9-4-3-5-10-24)25-12-14-30-28(21-25)35(37)42-44(30)33-11-6-7-20-46-33/h3,5-6,11-14,16-19,24,26,36,46H,4,7-10,15,20-23,25,27H2,1-2H3;3-5,8-11,13-16,23,25,29,35H,6-7,12,17-22,24H2,1-2H3;2-4,8-10,12,14-17,21,23,28,34H,5-7,11,13,18-20,22,24H2,1H3,(H,42,47);3-5,9-10,12-15,21,23,27,33H,6-7,11,16-20,22H2,1H3/b14-11+,37-32-;11-8+,36-31-;12-8+,35-30-;34-29-/t;;28-,34?;/m..1./s1
InChIKeyHAEORMIZBKBZMG-NNKFCCHASA-N
XLogP31.07
TPSA305.22 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds39
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002736.02
LogP ≤ 531.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?
The IUPAC name of (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one (CID 167579761) is (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one.
What is the SMILES notation for (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?
The canonical SMILES for (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one is CC#CC(=O)N1CCC(Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.CN(C)C(=O)/C=C/CN1CCC(Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CC1.CN(C)C(=O)/C=C/CNC1(COc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)CCCCC1.CNC(=O)/C=C/CN1CCC[C@@H](Oc2ccc(/C(=C(/CC(F)(F)F)c3ccccc3)c3ccc4c(c3)c(F)nn4C3CCCCO3)cn2)C1.
What is the InChIKey of (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?
The InChIKey is HAEORMIZBKBZMG-NNKFCCHASA-N. The full InChI is InChI=1S/C40H45F4N5O3.C38H41F4N5O3.C37H39F4N5O3.C36H34F4N4O3/c1-48(2)35(50)14-11-22-46-39(20-8-4-9-21-39)27-52-34-19-17-30(26-45-34)37(32(25-40(42,43)44)28-12-5-3-6-13-28)29-16-18-33-31(24-29)38(41)47-49(33)36-15-7-10-23-51-36;1-45(2)34(48)11-8-19-46-20-17-29(18-21-46)50-33-16-14-28(25-43-33)36(31(24-38(40,41)42)26-9-4-3-5-10-26)27-13-15-32-30(23-27)37(39)44-47(32)35-12-6-7-22-49-35;1-42-32(47)12-8-19-45-18-7-11-28(24-45)49-33-17-15-27(23-43-33)35(30(22-37(39,40)41)25-9-3-2-4-10-25)26-14-16-31-29(21-26)36(38)44-46(31)34-13-5-6-20-48-34;1-2-8-32(45)43-18-16-27(17-19-43)47-31-15-13-26(23-41-31)34(29(22-36(38,39)40)24-9-4-3-5-10-24)25-12-14-30-28(21-25)35(37)42-44(30)33-11-6-7-20-46-33/h3,5-6,11-14,16-19,24,26,36,46H,4,7-10,15,20-23,25,27H2,1-2H3;3-5,8-11,13-16,23,25,29,35H,6-7,12,17-22,24H2,1-2H3;2-4,8-10,12,14-17,21,23,28,34H,5-7,11,13,18-20,22,24H2,1H3,(H,42,47);3-5,9-10,12-15,21,23,27,33H,6-7,11,16-20,22H2,1H3/b14-11+,37-32-;11-8+,36-31-;12-8+,35-30-;34-29-/t;;28-,34?;/m..1./s1.
What are the key properties of (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one?
(E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one has a molecular weight of 2736.02 g/mol, XLogP of 31.07, 39 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-4-[[1-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxymethyl]cyclohexyl]amino]but-2-enamide;(E)-N,N-dimethyl-4-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;(E)-N-methyl-4-[(3R)-3-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-enamide;1-[4-[[5-[(Z)-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]-2-pyridinyl]oxy]piperidin-1-yl]but-2-yn-1-one is sourced from PubChem (CID 167579761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).