1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

C107H103BrClF6N19O11 — CID 158516117

IUPAC1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.CCOc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cn1.Cn1cc(C2(CC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CCC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20N2O2.C19H18F3N3O2.C18H18BrN3O.C18H20N4O2.C17H15F3N4O2.C15H12ClN3O2/c1-2-24-16-8-9-17-14(12-16)13-18(21-17)19(23)22-20(10-11-20)15-6-4-3-5-7-15;1-25-11-13(10-23-25)18(5-2-6-18)9-17(26)16-8-12-7-14(27-19(20,21)22)3-4-15(12)24-16;1-22-11-13(10-20-22)18(5-2-6-18)9-17(23)16-8-12-7-14(19)3-4-15(12)21-16;1-3-24-14-4-5-15-12(8-14)9-16(20-15)17(23)21-18(6-7-18)13-10-19-22(2)11-13;1-24-9-11(8-21-24)16(4-5-16)23-15(25)14-7-10-6-12(26-17(18,19)20)2-3-13(10)22-14;16-10-1-2-11-9(5-10)6-12(18-11)14(20)19-15(3-4-15)13-7-21-8-17-13/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);3-4,7-8,10-11,24H,2,5-6,9H2,1H3;3-4,7-8,10-11,21H,2,5-6,9H2,1H3;4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,23);2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20)
InChIKeyHLQKNYWSQDGSDD-UHFFFAOYSA-N
MW2060.47 g/mol
LogP22.01
Rot. Bonds26

About 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide

1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 158516117) has the molecular formula C107H103BrClF6N19O11 and a molecular weight of 2060.47 g/mol. Its IUPAC name is 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID158516117
Molecular FormulaC107H103BrClF6N19O11
Molecular Weight2060.47 g/mol
Exact Mass2057.69
IUPAC Name1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.CCOc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cn1.Cn1cc(C2(CC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CCC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C20H20N2O2.C19H18F3N3O2.C18H18BrN3O.C18H20N4O2.C17H15F3N4O2.C15H12ClN3O2/c1-2-24-16-8-9-17-14(12-16)13-18(21-17)19(23)22-20(10-11-20)15-6-4-3-5-7-15;1-25-11-13(10-23-25)18(5-2-6-18)9-17(26)16-8-12-7-14(27-19(20,21)22)3-4-15(12)24-16;1-22-11-13(10-20-22)18(5-2-6-18)9-17(23)16-8-12-7-14(19)3-4-15(12)21-16;1-3-24-14-4-5-15-12(8-14)9-16(20-15)17(23)21-18(6-7-18)13-10-19-22(2)11-13;1-24-9-11(8-21-24)16(4-5-16)23-15(25)14-7-10-6-12(26-17(18,19)20)2-3-13(10)22-14;16-10-1-2-11-9(5-10)6-12(18-11)14(20)19-15(3-4-15)13-7-21-8-17-13/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);3-4,7-8,10-11,24H,2,5-6,9H2,1H3;3-4,7-8,10-11,21H,2,5-6,9H2,1H3;4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,23);2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20)
InChIKeyHLQKNYWSQDGSDD-UHFFFAOYSA-N
XLogP22.01
TPSA379.51 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002060.47
LogP ≤ 522.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide with MolForge

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Related Compounds

1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[4-(1-methylpyrazol-4-yl)oxan-4-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 157227967
5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 157609776
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrrol-3-yl)cyclobutyl]ethanone;5-bromo-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;2-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 157814894
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[4-(1-methylpyrazol-4-yl)oxan-4-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 158221193
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrrol-3-yl)cyclobutyl]ethanone;5-chloro-N-[4-(1-methylpyrrol-3-yl)oxan-4-yl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;2-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 158299258
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrrol-3-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrrol-3-yl)cyclopropyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;2-[1-(1-methylpyrrol-3-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 158499868
5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159524571
5-bromo-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-bromo-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclohexyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159636513
5-chloro-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;5-cyano-N-[3-(4-fluorophenyl)oxetan-3-yl]-1H-indole-2-carboxamide;5-ethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethyl-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 159974727
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 160106353
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1-methylpyrazol-4-yl)propan-2-yl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone
CID 160315790
5-chloro-N-[1-(1-methylpyrazol-4-yl)cyclopentyl]-1H-indole-2-carboxamide;5-chloro-N-(1-phenylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethoxy)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 161187711

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 158516117) is 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is CCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.CCOc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.Cn1cc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)cn1.Cn1cc(C2(CC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CCC2)cn1.Cn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is HLQKNYWSQDGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C19H18F3N3O2.C18H18BrN3O.C18H20N4O2.C17H15F3N4O2.C15H12ClN3O2/c1-2-24-16-8-9-17-14(12-16)13-18(21-17)19(23)22-20(10-11-20)15-6-4-3-5-7-15;1-25-11-13(10-23-25)18(5-2-6-18)9-17(26)16-8-12-7-14(27-19(20,21)22)3-4-15(12)24-16;1-22-11-13(10-20-22)18(5-2-6-18)9-17(23)16-8-12-7-14(19)3-4-15(12)21-16;1-3-24-14-4-5-15-12(8-14)9-16(20-15)17(23)21-18(6-7-18)13-10-19-22(2)11-13;1-24-9-11(8-21-24)16(4-5-16)23-15(25)14-7-10-6-12(26-17(18,19)20)2-3-13(10)22-14;16-10-1-2-11-9(5-10)6-12(18-11)14(20)19-15(3-4-15)13-7-21-8-17-13/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);3-4,7-8,10-11,24H,2,5-6,9H2,1H3;3-4,7-8,10-11,21H,2,5-6,9H2,1H3;4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,23);2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20).
What are the key properties of 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide?
1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 2060.47 g/mol, XLogP of 22.01, 26 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-indol-2-yl)-2-[1-(1-methylpyrazol-4-yl)cyclobutyl]ethanone;5-chloro-N-[1-(1,3-oxazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-1H-indole-2-carboxamide;5-ethoxy-N-(1-phenylcyclopropyl)-1H-indole-2-carboxamide;2-[1-(1-methylpyrazol-4-yl)cyclobutyl]-1-[5-(trifluoromethoxy)-1H-indol-2-yl]ethanone;N-[1-(1-methylpyrazol-4-yl)cyclopropyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 158516117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).