1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone

C206H221F11N8O27 — CID 157257932

IUPAC1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
SMILESCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CCO.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CC(O)O.CCC(O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CCCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC[C@@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.COc1ccc(C2(C(=O)Cc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1
InChIInChI=1S/2C28H33NO4.C26H26F3NO4.C26H26F3NO3.C26H28FNO5.C24H22F3NO3.C24H26FNO2.C24H27NO2/c2*1-5-21(30)16-29-22-8-6-18(12-19(22)14-25(29)27(2,3)4)13-26(31)28(10-11-28)20-7-9-23-24(15-20)33-17-32-23;1-24(2,3)22-11-16-10-15(18(27)14-19(16)30(22)8-9-31)12-23(32)25(6-7-25)17-4-5-20-21(13-17)34-26(28,29)33-20;1-4-7-24(2,3)22-11-16-10-15(18(27)14-19(16)30-22)12-23(31)25(8-9-25)17-5-6-20-21(13-17)33-26(28,29)32-20;1-25(2,3)22-9-16-8-15(18(27)12-19(16)28(22)13-24(30)31)10-23(29)26(6-7-26)17-4-5-20-21(11-17)33-14-32-20;1-22(2,3)20-9-14-8-13(16(25)12-17(14)28-20)10-21(29)23(6-7-23)15-4-5-18-19(11-15)31-24(26,27)30-18;1-23(2,3)21-11-16-10-15(19(25)14-20(16)26-21)12-22(27)24(8-9-24)17-6-5-7-18(13-17)28-4;1-23(2,3)21-15-17-13-16(5-10-20(17)25-21)14-22(26)24(11-12-24)18-6-8-19(27-4)9-7-18/h2*6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;4-5,10-11,13-14,31H,6-9,12H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,24,30-31H,6-7,10,13-14H2,1-3H3;4-5,8-9,11-12,28H,6-7,10H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t21-;;;;;;;/m1......./s1
InChIKeyAXCLTTPQIBNYAG-KTGMUAFWSA-N
MW3450.04 g/mol
LogP42.85
Rot. Bonds47

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone (PubChem CID 157257932) has the molecular formula C206H221F11N8O27 and a molecular weight of 3450.04 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
PubChem CID157257932
Molecular FormulaC206H221F11N8O27
Molecular Weight3450.04 g/mol
Exact Mass3447.60
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone
SMILESCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CCO.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CC(O)O.CCC(O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CCCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC[C@@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.COc1ccc(C2(C(=O)Cc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1
InChIInChI=1S/2C28H33NO4.C26H26F3NO4.C26H26F3NO3.C26H28FNO5.C24H22F3NO3.C24H26FNO2.C24H27NO2/c2*1-5-21(30)16-29-22-8-6-18(12-19(22)14-25(29)27(2,3)4)13-26(31)28(10-11-28)20-7-9-23-24(15-20)33-17-32-23;1-24(2,3)22-11-16-10-15(18(27)14-19(16)30(22)8-9-31)12-23(32)25(6-7-25)17-4-5-20-21(13-17)34-26(28,29)33-20;1-4-7-24(2,3)22-11-16-10-15(18(27)14-19(16)30-22)12-23(31)25(8-9-25)17-5-6-20-21(13-17)33-26(28,29)32-20;1-25(2,3)22-9-16-8-15(18(27)12-19(16)28(22)13-24(30)31)10-23(29)26(6-7-26)17-4-5-20-21(11-17)33-14-32-20;1-22(2,3)20-9-14-8-13(16(25)12-17(14)28-20)10-21(29)23(6-7-23)15-4-5-18-19(11-15)31-24(26,27)30-18;1-23(2,3)21-11-16-10-15(19(25)14-20(16)26-21)12-22(27)24(8-9-24)17-6-5-7-18(13-17)28-4;1-23(2,3)21-15-17-13-16(5-10-20(17)25-21)14-22(26)24(11-12-24)18-6-8-19(27-4)9-7-18/h2*6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;4-5,10-11,13-14,31H,6-9,12H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,24,30-31H,6-7,10,13-14H2,1-3H3;4-5,8-9,11-12,28H,6-7,10H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t21-;;;;;;;/m1......./s1
InChIKeyAXCLTTPQIBNYAG-KTGMUAFWSA-N
XLogP42.85
TPSA449.81 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds47
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003450.04
LogP ≤ 542.85
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone (CID 157257932) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone is CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1CCO.CC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CC(O)O.CCC(O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CCCC(C)(C)c1cc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CC[C@@H](O)Cn1c(C(C)(C)C)cc2cc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.COc1ccc(C2(C(=O)Cc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1.COc1cccc(C2(C(=O)Cc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)c1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
The InChIKey is AXCLTTPQIBNYAG-KTGMUAFWSA-N. The full InChI is InChI=1S/2C28H33NO4.C26H26F3NO4.C26H26F3NO3.C26H28FNO5.C24H22F3NO3.C24H26FNO2.C24H27NO2/c2*1-5-21(30)16-29-22-8-6-18(12-19(22)14-25(29)27(2,3)4)13-26(31)28(10-11-28)20-7-9-23-24(15-20)33-17-32-23;1-24(2,3)22-11-16-10-15(18(27)14-19(16)30(22)8-9-31)12-23(32)25(6-7-25)17-4-5-20-21(13-17)34-26(28,29)33-20;1-4-7-24(2,3)22-11-16-10-15(18(27)14-19(16)30-22)12-23(31)25(8-9-25)17-5-6-20-21(13-17)33-26(28,29)32-20;1-25(2,3)22-9-16-8-15(18(27)12-19(16)28(22)13-24(30)31)10-23(29)26(6-7-26)17-4-5-20-21(11-17)33-14-32-20;1-22(2,3)20-9-14-8-13(16(25)12-17(14)28-20)10-21(29)23(6-7-23)15-4-5-18-19(11-15)31-24(26,27)30-18;1-23(2,3)21-11-16-10-15(19(25)14-20(16)26-21)12-22(27)24(8-9-24)17-6-5-7-18(13-17)28-4;1-23(2,3)21-15-17-13-16(5-10-20(17)25-21)14-22(26)24(11-12-24)18-6-8-19(27-4)9-7-18/h2*6-9,12,14-15,21,30H,5,10-11,13,16-17H2,1-4H3;4-5,10-11,13-14,31H,6-9,12H2,1-3H3;5-6,10-11,13-14,30H,4,7-9,12H2,1-3H3;4-5,8-9,11-12,24,30-31H,6-7,10,13-14H2,1-3H3;4-5,8-9,11-12,28H,6-7,10H2,1-3H3;5-7,10-11,13-14,26H,8-9,12H2,1-4H3;5-10,13,15,25H,11-12,14H2,1-4H3/t21-;;;;;;;/m1......./s1.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone has a molecular weight of 3450.04 g/mol, XLogP of 42.85, 47 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2,2-dihydroxyethyl)-6-fluoroindol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-[(2R)-2-hydroxybutyl]indol-5-yl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[2-tert-butyl-1-(2-hydroxybutyl)indol-5-yl]ethanone;2-[2-tert-butyl-6-fluoro-1-(2-hydroxyethyl)indol-5-yl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-[1-(3-methoxyphenyl)cyclopropyl]ethanone;2-(2-tert-butyl-1H-indol-5-yl)-1-[1-(4-methoxyphenyl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-fluoro-2-(2-methylpentan-2-yl)-1H-indol-5-yl]ethanone is sourced from PubChem (CID 157257932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).