ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone

C81H73F5N4O14 — CID 158791019

IUPACethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
SMILESCCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(OC(F)F)ccc12.CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC(F)F)cc12.COc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C23H18FNO3.2C20H19F2NO4.C18H17NO3/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-10-9-15(11-16(17)18)27-20(21)22;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-11-15(27-20(21)22)9-10-16(17)18;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18/h3-14H,1-2H3;2*5-11,20H,4H2,1-3H3;4-11H,1-3H3
InChIKeyISGWZQAZDDIGRN-UHFFFAOYSA-N
MW1421.48 g/mol
LogP18.32
Rot. Bonds21

About ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone

ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone (PubChem CID 158791019) has the molecular formula C81H73F5N4O14 and a molecular weight of 1421.48 g/mol. Its IUPAC name is ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone.

Molecular Properties

Compound Nameethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
PubChem CID158791019
Molecular FormulaC81H73F5N4O14
Molecular Weight1421.48 g/mol
Exact Mass1420.50
IUPAC Nameethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone
SMILESCCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(OC(F)F)ccc12.CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC(F)F)cc12.COc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1
InChIInChI=1S/C23H18FNO3.2C20H19F2NO4.C18H17NO3/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-10-9-15(11-16(17)18)27-20(21)22;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-11-15(27-20(21)22)9-10-16(17)18;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18/h3-14H,1-2H3;2*5-11,20H,4H2,1-3H3;4-11H,1-3H3
InChIKeyISGWZQAZDDIGRN-UHFFFAOYSA-N
XLogP18.32
TPSA180.30 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.48
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone 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-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole
CID 45028187
3,5-bis(6-fluoro-1-benzyl-3-indolyl)-5-(5,6-dimethoxy-3-indolyl)-2(5H)-furanone
CID 20442760
1-(4-Isopropoxyphenyl)-2-ethoxycarbonylmethyl-5-(5-trifluoromethyl-2-pyridinyloxy)indole-3-carboxylic acid ethyl ester
CID 66657631
1-(4-Diethylaminophenyl)-2-ethoxycarbonylmethyl-5-(4-trifluoromethylphenoxy)indole-3-carboxylic acid ethyl ester
CID 66657632
2-Ethoxycarbonylmethyl-1-(9-ethylcarbazol-3-yl)-5-(4-trifluoromethylphenoxy)indole-3-carboxylic acid ethyl ester
CID 66657676
[1-Butyl-5-(4-fluorophenoxy)indol-3-yl]-[4-[3-(diethylamino)propoxy]phenyl]methanone
CID 85470221
[1-Butyl-5-(4-fluorophenoxy)indol-3-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 85470273
[1-Butyl-5-(4-fluorophenoxy)indol-3-yl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
CID 85470274
2-Ethoxycarbonylmethyl-1-(4-trifluoromethoxyphenyl)-5-(5-trifluoromethyl-2-pyridinyloxy)indole-3-carboxylic acid ethyl ester
CID 86628818
Ethyl 1-[4-(diethylamino)phenyl]-2-(2-ethoxy-2-oxoethyl)-5-(2,3,5-trifluoro-4-methylphenoxy)indole-3-carboxylate
CID 87239101
2-[1,5-Bis[4-(trifluoromethoxy)phenyl]indol-3-yl]-2-oxoacetic acid;2-[5-[2-(4-fluorophenyl)ethoxy]-1-[(4-fluorophenyl)methyl]-7,7a-dihydroindol-3-yl]-2-oxoacetic acid
CID 87586221
2-[1-Butyl-5-(4-methoxyphenyl)indol-3-yl]-2-oxoacetic acid;2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]-2-oxoacetic acid;2-[1-butyl-5-[4-(trifluoromethyl)phenyl]indol-3-yl]-2-oxoacetic acid
CID 87600334

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
The IUPAC name of ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone (CID 158791019) is ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone.
What is the SMILES notation for ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
The canonical SMILES for ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone is CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2cc(OC(F)F)ccc12.CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC(F)F)cc12.COc1ccc(-n2cc(C(=O)c3ccc(F)cc3)c3ccc(OC)cc32)cc1.COc1ccc(-n2cc(C(C)=O)c3ccc(OC)cc32)cc1.
What is the InChIKey of ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
The InChIKey is ISGWZQAZDDIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3.2C20H19F2NO4.C18H17NO3/c1-27-18-9-7-17(8-10-18)25-14-21(20-12-11-19(28-2)13-22(20)25)23(26)15-3-5-16(24)6-4-15;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-10-9-15(11-16(17)18)27-20(21)22;1-4-26-19(24)18-12(2)23(13-5-7-14(25-3)8-6-13)17-11-15(27-20(21)22)9-10-16(17)18;1-12(20)17-11-19(13-4-6-14(21-2)7-5-13)18-10-15(22-3)8-9-16(17)18/h3-14H,1-2H3;2*5-11,20H,4H2,1-3H3;4-11H,1-3H3.
What are the key properties of ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone?
ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone has a molecular weight of 1421.48 g/mol, XLogP of 18.32, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;ethyl 6-(difluoromethoxy)-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate;(4-fluorophenyl)-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]methanone;1-[6-methoxy-1-(4-methoxyphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 158791019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).