5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole

C95H78F10I2N8O2 — CID 167707918

IUPAC5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole
SMILESFc1cc(F)cc(C#Cc2ccc3c(c2)C=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)C(I)=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)C=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1.Fc1cc(F)cc(CCc2ccc3c(c2)c(I)nn3C2CCCCO2)c1
InChIInChI=1S/C27H25F2N3O.C20H19F2IN2O.C16H12F2IN.C16H13F2N.C16H9F2N/c28-21-15-20(16-22(29)18-21)8-7-19-9-12-26-24(17-19)25(11-10-23-5-1-3-13-30-23)31-32(26)27-6-2-4-14-33-27;21-15-9-14(10-16(22)12-15)5-4-13-6-7-18-17(11-13)20(23)24-25(18)19-3-1-2-8-26-19;17-13-5-11(6-14(18)8-13)2-1-10-3-4-12-9-20-16(19)15(12)7-10;2*17-15-6-12(7-16(18)8-15)2-1-11-3-4-13-9-19-10-14(13)5-11/h1,3,5,9-13,15-18,27H,2,4,6-8,14H2;6-7,9-12,19H,1-5,8H2;3-8H,1-2,9H2;3-8,10H,1-2,9H2;3-8,10H,9H2/b11-10+;;;;
InChIKeyZJPJRNKPQSPOTI-RKKUYNIKSA-N
MW1807.51 g/mol
LogP23.19
Rot. Bonds16

About 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole

5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole (PubChem CID 167707918) has the molecular formula C95H78F10I2N8O2 and a molecular weight of 1807.51 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole
PubChem CID167707918
Molecular FormulaC95H78F10I2N8O2
Molecular Weight1807.51 g/mol
Exact Mass1806.42
IUPAC Name5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole
SMILESFc1cc(F)cc(C#Cc2ccc3c(c2)C=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)C(I)=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)C=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1.Fc1cc(F)cc(CCc2ccc3c(c2)c(I)nn3C2CCCCO2)c1
InChIInChI=1S/C27H25F2N3O.C20H19F2IN2O.C16H12F2IN.C16H13F2N.C16H9F2N/c28-21-15-20(16-22(29)18-21)8-7-19-9-12-26-24(17-19)25(11-10-23-5-1-3-13-30-23)31-32(26)27-6-2-4-14-33-27;21-15-9-14(10-16(22)12-15)5-4-13-6-7-18-17(11-13)20(23)24-25(18)19-3-1-2-8-26-19;17-13-5-11(6-14(18)8-13)2-1-10-3-4-12-9-20-16(19)15(12)7-10;2*17-15-6-12(7-16(18)8-15)2-1-11-3-4-13-9-19-10-14(13)5-11/h1,3,5,9-13,15-18,27H,2,4,6-8,14H2;6-7,9-12,19H,1-5,8H2;3-8H,1-2,9H2;3-8,10H,1-2,9H2;3-8,10H,9H2/b11-10+;;;;
InChIKeyZJPJRNKPQSPOTI-RKKUYNIKSA-N
XLogP23.19
TPSA104.07 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001807.51
LogP ≤ 523.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-((E)-2-Cyclobutyl-2-phenyl-1-(4-((E)-2-(pyridin-3-yl)vinyl)phenyl)vinyl)-3-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CID 89811137
5-[2-Cyclobutyl-2-phenyl-1-[4-(2-pyridin-3-ylethenyl)phenyl]ethenyl]-3-fluoro-1-(oxan-2-yl)indazole
CID 123344076
6-Fluoro-5-(2-fluoro-4-pyridinyl)-3-(2-methyl-4-pyridinyl)-1-(oxan-2-yl)indazole
CID 137519006
5-Ethynyl-1-(oxan-2-yl)indazole;iodoethane;1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole
CID 160770900
5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
CID 164944594
5-(2-Fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(4-phenylphenyl)triazol-4-yl]indazole
CID 170648896
7-[4-[5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)indazol-3-yl]triazol-1-yl]-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 170648902
4-Fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
CID 170648907
7-Fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
CID 170648920
5-(2-Fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(6-phenyl-3-pyridinyl)triazol-4-yl]indazole
CID 170648924
6-Fluoro-5-(2-fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-(1-pyridin-4-yltriazol-4-yl)indazole
CID 170649013
5-(2-Fluoro-3-pyridinyl)-1-(oxan-2-yl)-3-[1-(5-phenyl-3-pyridinyl)triazol-4-yl]indazole
CID 170649015

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole?
The IUPAC name of 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole (CID 167707918) is 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole is Fc1cc(F)cc(C#Cc2ccc3c(c2)C=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)C(I)=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)C=NC3)c1.Fc1cc(F)cc(CCc2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1.Fc1cc(F)cc(CCc2ccc3c(c2)c(I)nn3C2CCCCO2)c1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole?
The InChIKey is ZJPJRNKPQSPOTI-RKKUYNIKSA-N. The full InChI is InChI=1S/C27H25F2N3O.C20H19F2IN2O.C16H12F2IN.C16H13F2N.C16H9F2N/c28-21-15-20(16-22(29)18-21)8-7-19-9-12-26-24(17-19)25(11-10-23-5-1-3-13-30-23)31-32(26)27-6-2-4-14-33-27;21-15-9-14(10-16(22)12-15)5-4-13-6-7-18-17(11-13)20(23)24-25(18)19-3-1-2-8-26-19;17-13-5-11(6-14(18)8-13)2-1-10-3-4-12-9-20-16(19)15(12)7-10;2*17-15-6-12(7-16(18)8-15)2-1-11-3-4-13-9-19-10-14(13)5-11/h1,3,5,9-13,15-18,27H,2,4,6-8,14H2;6-7,9-12,19H,1-5,8H2;3-8H,1-2,9H2;3-8,10H,1-2,9H2;3-8,10H,9H2/b11-10+;;;;.
What are the key properties of 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole?
5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole has a molecular weight of 1807.51 g/mol, XLogP of 23.19, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-3-iodo-1-(oxan-2-yl)indazole;5-[2-(3,5-difluorophenyl)ethyl]-1H-isoindole;5-[2-(3,5-difluorophenyl)ethyl]-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole;5-[2-(3,5-difluorophenyl)ethynyl]-1H-isoindole is sourced from PubChem (CID 167707918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).