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

C147H154BrCl2F3N26O13 — CID 158221193

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-(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
SMILESCC(C)Oc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.CC(Cc1cnn(C)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCc1ccc2[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(Cl)ccc4[nH]3)CCOCC2)cn1
InChIInChI=1S/C20H20N2O2.C19H18F3N3O2.C19H22N4O2.C19H20N2O2.C18H18BrN3O.C18H19ClN4O2.C18H20N4O.C16H17ClN4O/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;1-12(2)25-15-4-5-16-13(8-15)9-17(21-16)18(24)22-19(6-7-19)14-10-20-23(3)11-14;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;1-3-12-4-5-15-13(8-12)9-16(20-15)17(23)21-18(6-7-18)14-10-19-22(2)11-14;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/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);3-4,7-8,10-11,24H,2,5-6,9H2,1H3;4-5,8-12,21H,6-7H2,1-3H3,(H,22,24);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);4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,23);3-4,6-10,20H,5H2,1-2H3,(H,19,22)/t;;;13-;;;;/m...1..../s1
InChIKeyGDGLPMJKFZFYHH-JDAOEFSWSA-N
MW2700.82 g/mol
LogP28.79
Rot. Bonds35

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-(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

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 (PubChem CID 158221193) has the molecular formula C147H154BrCl2F3N26O13 and a molecular weight of 2700.82 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-(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.

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-(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
PubChem CID158221193
Molecular FormulaC147H154BrCl2F3N26O13
Molecular Weight2700.82 g/mol
Exact Mass2697.07
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-(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
SMILESCC(C)Oc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.CC(Cc1cnn(C)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCc1ccc2[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(Cl)ccc4[nH]3)CCOCC2)cn1
InChIInChI=1S/C20H20N2O2.C19H18F3N3O2.C19H22N4O2.C19H20N2O2.C18H18BrN3O.C18H19ClN4O2.C18H20N4O.C16H17ClN4O/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;1-12(2)25-15-4-5-16-13(8-15)9-17(21-16)18(24)22-19(6-7-19)14-10-20-23(3)11-14;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;1-3-12-4-5-15-13(8-12)9-16(20-15)17(23)21-18(6-7-18)14-10-19-22(2)11-14;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/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);3-4,7-8,10-11,24H,2,5-6,9H2,1H3;4-5,8-12,21H,6-7H2,1-3H3,(H,22,24);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);4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,23);3-4,6-10,20H,5H2,1-2H3,(H,19,22)/t;;;13-;;;;/m...1..../s1
InChIKeyGDGLPMJKFZFYHH-JDAOEFSWSA-N
XLogP28.79
TPSA488.13 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002700.82
LogP ≤ 528.79
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

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-(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 with MolForge

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Related Compounds

5-bromo-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1-methylpiperidin-4-yl)-phenylmethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1R)-1-phenylethyl]-2,3-dihydro-1H-indole-2-carboxamide;5-ethoxy-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-ethyl-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-propan-2-yloxy-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 157127123
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-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
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
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
N-[1-(1-acetylpiperidin-4-yl)cyclopropyl]-5-chloro-1H-indole-2-carboxamide;(3S)-1-(6-methoxy-1H-indol-2-yl)-3-phenylbutan-1-one;N-[1-(1-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-(1-phenylcyclopropyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 159852247
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

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-(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?
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-(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) 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-(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.
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-(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?
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-(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 is CC(C)Oc1ccc2[nH]c(C(=O)NC3(c4cnn(C)c4)CC3)cc2c1.CC(Cc1cnn(C)c1)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CCOc1ccc2[nH]c(C(=O)NC3(c4ccccc4)CC3)cc2c1.CCOc1ccc2[nH]c(C(=O)N[C@H](C)c3ccccc3)cc2c1.CCc1ccc2[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(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-(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?
The InChIKey is GDGLPMJKFZFYHH-JDAOEFSWSA-N. The full InChI is InChI=1S/C20H20N2O2.C19H18F3N3O2.C19H22N4O2.C19H20N2O2.C18H18BrN3O.C18H19ClN4O2.C18H20N4O.C16H17ClN4O/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;1-12(2)25-15-4-5-16-13(8-15)9-17(21-16)18(24)22-19(6-7-19)14-10-20-23(3)11-14;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;1-3-12-4-5-15-13(8-12)9-16(20-15)17(23)21-18(6-7-18)14-10-19-22(2)11-14;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/h3-9,12-13,21H,2,10-11H2,1H3,(H,22,23);3-4,7-8,10-11,24H,2,5-6,9H2,1H3;4-5,8-12,21H,6-7H2,1-3H3,(H,22,24);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);4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,23);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-(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?
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 has a molecular weight of 2700.82 g/mol, XLogP of 28.79, 35 rotatable bonds, 14 hydrogen bond donors, and 25 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-(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 is sourced from PubChem (CID 158221193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).