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

C90H86BrClF6N14O9 — CID 158499868

About 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

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 (PubChem CID 158499868) has the molecular formula C90H86BrClF6N14O9 and a molecular weight of 1737.11 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158499868
• Molecular Formula: C90H86BrClF6N14O9
• Molecular Weight: 1737.11 g/mol
• Exact Mass: 1734.55
• IUPAC Name: 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
• SMILES: CCOc1ccc2[nH]c(C(=O)NC3(c4ccn(C)c4)CC3)cc2c1.Cn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.Cn1ccc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)c1.Cn1ccc(C2(CC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CCC2)c1.O=C(NC1(c2cocn2)CC1)c1cc2cc(Cl)ccc2[nH]1
• InChI: InChI=1S/C20H19F3N2O2.C19H19BrN2O.C19H21N3O2.C17H15F3N4O2.C15H12ClN3O2/c1-25-8-5-14(12-25)19(6-2-7-19)11-18(26)17-10-13-9-15(27-20(21,22)23)3-4-16(13)24-17;1-22-8-5-14(12-22)19(6-2-7-19)11-18(23)17-10-13-9-15(20)3-4-16(13)21-17;1-3-24-15-4-5-16-13(10-15)11-17(20-16)18(23)21-19(7-8-19)14-6-9-22(2)12-14;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/h3-5,8-10,12,24H,2,6-7,11H2,1H3;3-5,8-10,12,21H,2,6-7,11H2,1H3;4-6,9-12,20H,3,7-8H2,1-2H3,(H,21,23);2-3,6-9,22H,4-5H2,1H3,(H,23,25);1-2,5-8,18H,3-4H2,(H,19,20)
• InChIKey: HJTJHLWIXXMMGU-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 286.72 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1737.11
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOc1ccc2[nH]c(C(=O)NC3(c4ccn(C)c4)CC3)cc2c1.Cn1cc(C2(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC2)cn1.Cn1ccc(C2(CC(=O)c3cc4cc(Br)ccc4[nH]3)CCC2)c1.Cn1ccc(C2(CC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CCC2)c1.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-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?

The InChIKey is HJTJHLWIXXMMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2.C19H19BrN2O.C19H21N3O2.C17H15F3N4O2.C15H12ClN3O2/c1-25-8-5-14(12-25)19(6-2-7-19)11-18(26)17-10-13-9-15(27-20(21,22)23)3-4-16(13)24-17;1-22-8-5-14(12-22)19(6-2-7-19)11-18(23)17-10-13-9-15(20)3-4-16(13)21-17;1-3-24-15-4-5-16-13(10-15)11-17(20-16)18(23)21-19(7-8-19)14-6-9-22(2)12-14;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/h3-5,8-10,12,24H,2,6-7,11H2,1H3;3-5,8-10,12,21H,2,6-7,11H2,1H3;4-6,9-12,20H,3,7-8H2,1-2H3,(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-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?

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 has a molecular weight of 1737.11 g/mol, XLogP of 19.83, 21 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158499868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).