4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite

C162H155Cl12F7N30O13S — CID 162127200

IUPAC4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite
SMILESCC(Oc1ccc2[nH]nc(C(F)=Cc3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)c(C(F)=Cc1ccc(CN3CCOCC3)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.CSF.C[C@@H](Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@H](Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C31H32Cl2FN5O3.5C26H24Cl2FN5O2.CH3FS/c1-20(30-25(32)17-35-18-26(30)33)42-23-7-8-28-24(15-23)31(37-39(28)29-4-2-3-11-41-29)27(34)14-21-5-6-22(36-16-21)19-38-9-12-40-13-10-38;5*1-16(25-21(27)13-30-14-22(25)28)36-19-4-5-24-20(11-19)26(33-32-24)23(29)10-17-2-3-18(31-12-17)15-34-6-8-35-9-7-34;1-3-2/h5-8,14-18,20,29H,2-4,9-13,19H2,1H3;5*2-5,10-14,16H,6-9,15H2,1H3,(H,32,33);1H3/b;2*23-10+;2*23-10-;;/t;4*16-;;/m.1010../s1
InChIKeyZIEQHCJQFXEOIA-AJOLEQNUSA-N
MW3320.71 g/mol
LogP39.00
Rot. Bonds43

About 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite

4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite (PubChem CID 162127200) has the molecular formula C162H155Cl12F7N30O13S and a molecular weight of 3320.71 g/mol. Its IUPAC name is 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite.

Molecular Properties

Compound Name4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite
PubChem CID162127200
Molecular FormulaC162H155Cl12F7N30O13S
Molecular Weight3320.71 g/mol
Exact Mass3312.83
IUPAC Name4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite
SMILESCC(Oc1ccc2[nH]nc(C(F)=Cc3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)c(C(F)=Cc1ccc(CN3CCOCC3)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.CSF.C[C@@H](Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@H](Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C31H32Cl2FN5O3.5C26H24Cl2FN5O2.CH3FS/c1-20(30-25(32)17-35-18-26(30)33)42-23-7-8-28-24(15-23)31(37-39(28)29-4-2-3-11-41-29)27(34)14-21-5-6-22(36-16-21)19-38-9-12-40-13-10-38;5*1-16(25-21(27)13-30-14-22(25)28)36-19-4-5-24-20(11-19)26(33-32-24)23(29)10-17-2-3-18(31-12-17)15-34-6-8-35-9-7-34;1-3-2/h5-8,14-18,20,29H,2-4,9-13,19H2,1H3;5*2-5,10-14,16H,6-9,15H2,1H3,(H,32,33);1H3/b;2*23-10+;2*23-10-;;/t;4*16-;;/m.1010../s1
InChIKeyZIEQHCJQFXEOIA-AJOLEQNUSA-N
XLogP39.00
TPSA455.33 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds43
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003320.71
LogP ≤ 539.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite?
The IUPAC name of 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite (CID 162127200) is 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite.
What is the SMILES notation for 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite?
The canonical SMILES for 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite is CC(Oc1ccc2[nH]nc(C(F)=Cc3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.CC(Oc1ccc2c(c1)c(C(F)=Cc1ccc(CN3CCOCC3)nc1)nn2C1CCCCO1)c1c(Cl)cncc1Cl.CSF.C[C@@H](Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@H](Oc1ccc2[nH]nc(/C(F)=C/c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.C[C@H](Oc1ccc2[nH]nc(/C(F)=C\c3ccc(CN4CCOCC4)nc3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite?
The InChIKey is ZIEQHCJQFXEOIA-AJOLEQNUSA-N. The full InChI is InChI=1S/C31H32Cl2FN5O3.5C26H24Cl2FN5O2.CH3FS/c1-20(30-25(32)17-35-18-26(30)33)42-23-7-8-28-24(15-23)31(37-39(28)29-4-2-3-11-41-29)27(34)14-21-5-6-22(36-16-21)19-38-9-12-40-13-10-38;5*1-16(25-21(27)13-30-14-22(25)28)36-19-4-5-24-20(11-19)26(33-32-24)23(29)10-17-2-3-18(31-12-17)15-34-6-8-35-9-7-34;1-3-2/h5-8,14-18,20,29H,2-4,9-13,19H2,1H3;5*2-5,10-14,16H,6-9,15H2,1H3,(H,32,33);1H3/b;2*23-10+;2*23-10-;;/t;4*16-;;/m.1010../s1.
What are the key properties of 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite?
4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite has a molecular weight of 3320.71 g/mol, XLogP of 39.00, 43 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;4-[[5-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine;methyl thiohypofluorite is sourced from PubChem (CID 162127200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).