[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole

C88H92Cl2F3N11O6 — CID 158465197

IUPAC[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
SMILESC[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1)c1ccncc1Cl.Cc1cc(F)ccc1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2c(c1)C(/C=C/c1ccc(CN3CCC(CO)CC3)nc1)=NC2
InChIInChI=1S/C30H33ClN4O2.C30H31F2N3O2.C28H28ClFN4O2/c1-20-14-32-17-28(31)30(20)21(2)37-26-7-5-24-16-34-29(27(24)13-26)8-4-22-3-6-25(33-15-22)18-35-11-9-23(19-36)10-12-35;1-19-15-23(31)5-9-26(19)20(2)37-25-8-10-29-27(16-25)30(35-34-29)17-28(32)22-4-7-24(33-18-22)6-3-21-11-13-36-14-12-21;1-18(23-8-11-31-17-25(23)29)36-22-6-7-27-24(14-22)28(34-33-27)15-26(30)20-3-5-21(32-16-20)4-2-19-9-12-35-13-10-19/h3-8,13-15,17,21,23,36H,9-12,16,18-19H2,1-2H3;4-5,7-10,15-18,20-21H,3,6,11-14H2,1-2H3,(H,34,35);3,5-8,11,14-19H,2,4,9-10,12-13H2,1H3,(H,33,34)/b8-4+;28-17-;26-15-/t21-;;18-/m1.1/s1
InChIKeyHFQYPBSPDREWMI-WHEBGRHESA-N
MW1527.67 g/mol
LogP20.14
Rot. Bonds24

About [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole

[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole (PubChem CID 158465197) has the molecular formula C88H92Cl2F3N11O6 and a molecular weight of 1527.67 g/mol. Its IUPAC name is [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole.

Molecular Properties

Compound Name[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
PubChem CID158465197
Molecular FormulaC88H92Cl2F3N11O6
Molecular Weight1527.67 g/mol
Exact Mass1525.66
IUPAC Name[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
SMILESC[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1)c1ccncc1Cl.Cc1cc(F)ccc1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2c(c1)C(/C=C/c1ccc(CN3CCC(CO)CC3)nc1)=NC2
InChIInChI=1S/C30H33ClN4O2.C30H31F2N3O2.C28H28ClFN4O2/c1-20-14-32-17-28(31)30(20)21(2)37-26-7-5-24-16-34-29(27(24)13-26)8-4-22-3-6-25(33-15-22)18-35-11-9-23(19-36)10-12-35;1-19-15-23(31)5-9-26(19)20(2)37-25-8-10-29-27(16-25)30(35-34-29)17-28(32)22-4-7-24(33-18-22)6-3-21-11-13-36-14-12-21;1-18(23-8-11-31-17-25(23)29)36-22-6-7-27-24(14-22)28(34-33-27)15-26(30)20-3-5-21(32-16-20)4-2-19-9-12-35-13-10-19/h3-8,13-15,17,21,23,36H,9-12,16,18-19H2,1-2H3;4-5,7-10,15-18,20-21H,3,6,11-14H2,1-2H3,(H,34,35);3,5-8,11,14-19H,2,4,9-10,12-13H2,1H3,(H,33,34)/b8-4+;28-17-;26-15-/t21-;;18-/m1.1/s1
InChIKeyHFQYPBSPDREWMI-WHEBGRHESA-N
XLogP20.14
TPSA203.79 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.67
LogP ≤ 520.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole with MolForge

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Launch Full Analysis

Related Compounds

5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
1-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol
CID 134593570
[1-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol
CID 134593577
2-[4-[(E)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyrazol-1-yl]ethanol
CID 134593580
2-[4-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyrazol-1-yl]ethanol
CID 134593585
4-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]morpholine
CID 134593587
N-[[5-[(Z)-2-[5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593590
1-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]pyrrolidin-3-ol
CID 134593591
4-[[6-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]pyridazin-3-yl]methyl]morpholine
CID 134593594
N-[[5-[(Z)-2-[5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593603
4-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine
CID 134593605
4-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]morpholine
CID 134593607

Frequently Asked Questions

What is the IUPAC name of [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
The IUPAC name of [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole (CID 158465197) is [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole.
What is the SMILES notation for [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
The canonical SMILES for [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole is C[C@@H](Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1)c1ccncc1Cl.Cc1cc(F)ccc1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2c(c1)C(/C=C/c1ccc(CN3CCC(CO)CC3)nc1)=NC2.
What is the InChIKey of [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
The InChIKey is HFQYPBSPDREWMI-WHEBGRHESA-N. The full InChI is InChI=1S/C30H33ClN4O2.C30H31F2N3O2.C28H28ClFN4O2/c1-20-14-32-17-28(31)30(20)21(2)37-26-7-5-24-16-34-29(27(24)13-26)8-4-22-3-6-25(33-15-22)18-35-11-9-23(19-36)10-12-35;1-19-15-23(31)5-9-26(19)20(2)37-25-8-10-29-27(16-25)30(35-34-29)17-28(32)22-4-7-24(33-18-22)6-3-21-11-13-36-14-12-21;1-18(23-8-11-31-17-25(23)29)36-22-6-7-27-24(14-22)28(34-33-27)15-26(30)20-3-5-21(32-16-20)4-2-19-9-12-35-13-10-19/h3-8,13-15,17,21,23,36H,9-12,16,18-19H2,1-2H3;4-5,7-10,15-18,20-21H,3,6,11-14H2,1-2H3,(H,34,35);3,5-8,11,14-19H,2,4,9-10,12-13H2,1H3,(H,33,34)/b8-4+;28-17-;26-15-/t21-;;18-/m1.1/s1.
What are the key properties of [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
[1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole has a molecular weight of 1527.67 g/mol, XLogP of 20.14, 24 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-[(E)-2-[6-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3H-isoindol-1-yl]ethenyl]-2-pyridinyl]methyl]piperidin-4-yl]methanol;5-[(1R)-1-(3-chloro-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;5-[1-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole is sourced from PubChem (CID 158465197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).