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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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

C118H122ClF7N14O8 — CID 157403647

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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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.Cc1cc(F)ccc1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.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.C30H31F2N3O2.2C29H30F2N4O2/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;1-19-15-23(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;1-18-15-32-17-26(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);4-5,7-10,15-18,20-21H,3,6,11-14H2,1-2H3,(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-;28-17-;25-14-;27-15-
InChIKeyBNLRFMQPEQSPLW-NNCQDSCVSA-N
MW2032.80 g/mol
LogP28.31
Rot. Bonds32

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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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 157403647) has the molecular formula C118H122ClF7N14O8 and a molecular weight of 2032.80 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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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 CID157403647
Molecular FormulaC118H122ClF7N14O8
Molecular Weight2032.80 g/mol
Exact Mass2030.91
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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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.Cc1cc(F)ccc1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.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.C30H31F2N3O2.2C29H30F2N4O2/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;1-19-15-23(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;1-18-15-32-17-26(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);4-5,7-10,15-18,20-21H,3,6,11-14H2,1-2H3,(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-;28-17-;25-14-;27-15-
InChIKeyBNLRFMQPEQSPLW-NNCQDSCVSA-N
XLogP28.31
TPSA265.04 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002032.80
LogP ≤ 528.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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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Related Compounds

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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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 157403647) 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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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.Cc1cc(F)ccc1C(C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(CCC4CCOCC4)nc3)c2c1.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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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 BNLRFMQPEQSPLW-NNCQDSCVSA-N. The full InChI is InChI=1S/C30H31ClFN3O2.C30H31F2N3O2.2C29H30F2N4O2/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;1-19-15-23(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;1-18-15-32-17-26(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);4-5,7-10,15-18,20-21H,3,6,11-14H2,1-2H3,(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-;28-17-;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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 2032.80 g/mol, XLogP of 28.31, 32 rotatable bonds, 5 hydrogen bond donors, and 18 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-(4-fluoro-2-methylphenyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[2-(oxan-4-yl)ethyl]-3-pyridinyl]ethenyl]-2H-indazole;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 157403647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).