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

C90H92BrCl2F3N16O8 — CID 157227967

IUPAC1-(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
SMILESCC(Cc1cnn(C)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)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(Cl)ccc4[nH]3)CCOCC2)cn1
InChIInChI=1S/C19H18F3N3O2.C19H20N2O2.C18H18BrN3O.C18H19ClN4O2.C16H17ClN4O/c1-25-11-13(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;1-3-23-16-9-10-17-15(11-16)12-18(21-17)19(22)20-13(2)14-7-5-4-6-8-14;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;1-23-11-13(10-20-23)18(4-6-25-7-5-18)22-17(24)16-9-12-8-14(19)2-3-15(12)21-16;1-10(5-11-8-18-21(2)9-11)19-16(22)15-7-12-6-13(17)3-4-14(12)20-15/h3-4,7-8,10-11,24H,2,5-6,9H2,1H3;4-13,21H,3H2,1-2H3,(H,20,22);3-4,7-8,10-11,21H,2,5-6,9H2,1H3;2-3,8-11,21H,4-7H2,1H3,(H,22,24);3-4,6-10,20H,5H2,1-2H3,(H,19,22)/t;13-;;;/m.1.../s1
InChIKeyATTNKFIDVOTESA-QEANAVKHSA-N
MW1733.63 g/mol
LogP18.82
Rot. Bonds21

About 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

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 (PubChem CID 157227967) has the molecular formula C90H92BrCl2F3N16O8 and a molecular weight of 1733.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157227967
Molecular FormulaC90H92BrCl2F3N16O8
Molecular Weight1733.63 g/mol
Exact Mass1730.58
IUPAC Name1-(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
SMILESCC(Cc1cnn(C)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)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(Cl)ccc4[nH]3)CCOCC2)cn1
InChIInChI=1S/C19H18F3N3O2.C19H20N2O2.C18H18BrN3O.C18H19ClN4O2.C16H17ClN4O/c1-25-11-13(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;1-3-23-16-9-10-17-15(11-16)12-18(21-17)19(22)20-13(2)14-7-5-4-6-8-14;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;1-23-11-13(10-20-23)18(4-6-25-7-5-18)22-17(24)16-9-12-8-14(19)2-3-15(12)21-16;1-10(5-11-8-18-21(2)9-11)19-16(22)15-7-12-6-13(17)3-4-14(12)20-15/h3-4,7-8,10-11,24H,2,5-6,9H2,1H3;4-13,21H,3H2,1-2H3,(H,20,22);3-4,7-8,10-11,21H,2,5-6,9H2,1H3;2-3,8-11,21H,4-7H2,1H3,(H,22,24);3-4,6-10,20H,5H2,1-2H3,(H,19,22)/t;13-;;;/m.1.../s1
InChIKeyATTNKFIDVOTESA-QEANAVKHSA-N
XLogP18.82
TPSA299.36 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms120
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001733.63
LogP ≤ 518.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Cc1cnn(C)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)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(Cl)ccc4[nH]3)CCOCC2)cn1.
What is the InChIKey of 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?
The InChIKey is ATTNKFIDVOTESA-QEANAVKHSA-N. The full InChI is InChI=1S/C19H18F3N3O2.C19H20N2O2.C18H18BrN3O.C18H19ClN4O2.C16H17ClN4O/c1-25-11-13(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;1-3-23-16-9-10-17-15(11-16)12-18(21-17)19(22)20-13(2)14-7-5-4-6-8-14;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;1-23-11-13(10-20-23)18(4-6-25-7-5-18)22-17(24)16-9-12-8-14(19)2-3-15(12)21-16;1-10(5-11-8-18-21(2)9-11)19-16(22)15-7-12-6-13(17)3-4-14(12)20-15/h3-4,7-8,10-11,24H,2,5-6,9H2,1H3;4-13,21H,3H2,1-2H3,(H,20,22);3-4,7-8,10-11,21H,2,5-6,9H2,1H3;2-3,8-11,21H,4-7H2,1H3,(H,22,24);3-4,6-10,20H,5H2,1-2H3,(H,19,22)/t;13-;;;/m.1.../s1.
What are the key properties of 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?
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 has a molecular weight of 1733.63 g/mol, XLogP of 18.82, 21 rotatable bonds, 8 hydrogen bond donors, and 16 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-[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 is sourced from PubChem (CID 157227967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).