5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole

C88H91ClF5N11O6 — CID 158563798

IUPAC5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
SMILESCc1cc(F)cc(C(C)Oc2ccc3n[nH]c(/C=C(\F)c4ccc(CNC5CCOCC5)nc4)c3c2)c1.Cc1cccc(Cl)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.Cc1cncc(F)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1
InChIInChI=1S/C30H31ClFN3O2.2C29H30F2N4O2/c1-19-4-3-5-26(31)30(19)20(2)37-24-10-11-28-25(16-24)29(35-34-28)17-27(32)22-7-9-23(33-18-22)8-6-21-12-14-36-15-13-21;1-18-15-32-17-26(31)29(18)19(2)37-23-7-8-27-24(13-23)28(35-34-27)14-25(30)21-4-6-22(33-16-21)5-3-20-9-11-36-12-10-20;1-18-11-21(13-22(30)12-18)19(2)37-25-5-6-28-26(14-25)29(35-34-28)15-27(31)20-3-4-24(32-16-20)17-33-23-7-9-36-10-8-23/h3-5,7,9-11,16-18,20-21H,6,8,12-15H2,1-2H3,(H,34,35);4,6-8,13-17,19-20H,3,5,9-12H2,1-2H3,(H,34,35);3-6,11-16,19,23,33H,7-10,17H2,1-2H3,(H,34,35)/b27-17-;25-14-;27-15-
InChIKeyHRFICNAVCDHPED-PTMJTZLASA-N
MW1529.21 g/mol
LogP20.94
Rot. Bonds24

About 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole

5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole (PubChem CID 158563798) has the molecular formula C88H91ClF5N11O6 and a molecular weight of 1529.21 g/mol. Its IUPAC name is 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
PubChem CID158563798
Molecular FormulaC88H91ClF5N11O6
Molecular Weight1529.21 g/mol
Exact Mass1527.68
IUPAC Name5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole
SMILESCc1cc(F)cc(C(C)Oc2ccc3n[nH]c(/C=C(\F)c4ccc(CNC5CCOCC5)nc4)c3c2)c1.Cc1cccc(Cl)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.Cc1cncc(F)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1
InChIInChI=1S/C30H31ClFN3O2.2C29H30F2N4O2/c1-19-4-3-5-26(31)30(19)20(2)37-24-10-11-28-25(16-24)29(35-34-28)17-27(32)22-7-9-23(33-18-22)8-6-21-12-14-36-15-13-21;1-18-15-32-17-26(31)29(18)19(2)37-23-7-8-27-24(13-23)28(35-34-27)14-25(30)21-4-6-22(33-16-21)5-3-20-9-11-36-12-10-20;1-18-11-21(13-22(30)12-18)19(2)37-25-5-6-28-26(14-25)29(35-34-28)15-27(31)20-3-4-24(32-16-20)17-33-23-7-9-36-10-8-23/h3-5,7,9-11,16-18,20-21H,6,8,12-15H2,1-2H3,(H,34,35);4,6-8,13-17,19-20H,3,5,9-12H2,1-2H3,(H,34,35);3-6,11-16,19,23,33H,7-10,17H2,1-2H3,(H,34,35)/b27-17-;25-14-;27-15-
InChIKeyHRFICNAVCDHPED-PTMJTZLASA-N
XLogP20.94
TPSA205.01 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001529.21
LogP ≤ 520.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)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

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
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
N-[[5-[(Z)-2-[5-[1-(3-chloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593664
N-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593723
N-[[5-[(Z)-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593764
N-[[5-[(Z)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593765
N-[[5-[(Z)-2-[5-[1-(2-chloro-4-fluorophenyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593801
N-[[5-[(Z)-2-[5-[1-(2-chloro-6-fluorophenyl)ethoxy]-2H-indazol-3-yl]-1-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 134593863
N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]-2-morpholin-4-ylethanamine
CID 135298088
5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-(piperazin-1-ylmethyl)-3-pyridinyl]ethenyl]-2H-indazole
CID 135298099
5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-(6-piperidin-4-yloxy-3-pyridinyl)ethenyl]-2H-indazole
CID 135298102
N-[[5-[(Z)-2-[5-[1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-fluoroethenyl]-2-pyridinyl]methyl]oxan-4-amine
CID 135298110

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
The IUPAC name of 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole (CID 158563798) is 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole.
What is the SMILES notation for 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
The canonical SMILES for 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole is Cc1cc(F)cc(C(C)Oc2ccc3n[nH]c(/C=C(\F)c4ccc(CNC5CCOCC5)nc4)c3c2)c1.Cc1cccc(Cl)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.Cc1cncc(F)c1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.
What is the InChIKey of 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
The InChIKey is HRFICNAVCDHPED-PTMJTZLASA-N. The full InChI is InChI=1S/C30H31ClFN3O2.2C29H30F2N4O2/c1-19-4-3-5-26(31)30(19)20(2)37-24-10-11-28-25(16-24)29(35-34-28)17-27(32)22-7-9-23(33-18-22)8-6-21-12-14-36-15-13-21;1-18-15-32-17-26(31)29(18)19(2)37-23-7-8-27-24(13-23)28(35-34-27)14-25(30)21-4-6-22(33-16-21)5-3-20-9-11-36-12-10-20;1-18-11-21(13-22(30)12-18)19(2)37-25-5-6-28-26(14-25)29(35-34-28)15-27(31)20-3-4-24(32-16-20)17-33-23-7-9-36-10-8-23/h3-5,7,9-11,16-18,20-21H,6,8,12-15H2,1-2H3,(H,34,35);4,6-8,13-17,19-20H,3,5,9-12H2,1-2H3,(H,34,35);3-6,11-16,19,23,33H,7-10,17H2,1-2H3,(H,34,35)/b27-17-;25-14-;27-15-.
What are the key properties of 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole?
5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole has a molecular weight of 1529.21 g/mol, XLogP of 20.94, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-6-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;N-[[5-[(Z)-1-fluoro-2-[5-[1-(3-fluoro-5-methylphenyl)ethoxy]-2H-indazol-3-yl]ethenyl]-2-pyridinyl]methyl]oxan-4-amine;5-[1-(3-fluoro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole is sourced from PubChem (CID 158563798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).