2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide

C178H177BrCl6F10N26O23 — CID 157134352

IUPAC2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccncc3)cc12
InChIInChI=1S/C31H34ClF3N4O4.2C31H29ClFN5O4.C31H31ClFN5O4.C30H32ClF3N4O4.C24H22BrClFN3O3/c1-19(2)39(16-27(41)36-14-22-6-4-7-25(32)30(22)33)29(43)17-38-15-24(20(3)40)23-12-21(8-9-26(23)38)13-28(42)37-11-5-10-31(34,35)18-37;1-19(39)25-16-37(27-11-8-20(13-24(25)27)31(42)36-15-22-6-2-3-12-34-22)18-29(41)38(23-9-10-23)17-28(40)35-14-21-5-4-7-26(32)30(21)33;1-19(39)25-16-37(27-8-5-21(13-24(25)27)31(42)36-14-20-9-11-34-12-10-20)18-29(41)38(23-6-7-23)17-28(40)35-15-22-3-2-4-26(32)30(22)33;1-19(2)38(17-28(40)35-15-23-7-4-8-26(32)30(23)33)29(41)18-37-16-25(20(3)39)24-12-22(9-10-27(24)37)31(42)36-14-21-6-5-11-34-13-21;1-18(2)38(15-26(40)35-13-21-6-4-7-24(31)28(21)32)27(41)16-37-14-23(19(3)39)22-12-20(8-9-25(22)37)29(42)36-11-5-10-30(33,34)17-36;1-14(31)19-11-29(21-9-16(25)5-8-18(19)21)13-23(33)30(17-6-7-17)12-22(32)28-10-15-3-2-4-20(26)24(15)27/h4,6-9,12,15,19H,5,10-11,13-14,16-18H2,1-3H3,(H,36,41);2-8,11-13,16,23H,9-10,14-15,17-18H2,1H3,(H,35,40)(H,36,42);2-5,8-13,16,23H,6-7,14-15,17-18H2,1H3,(H,35,40)(H,36,42);4-13,16,19H,14-15,17-18H2,1-3H3,(H,35,40)(H,36,42);4,6-9,12,14,18H,5,10-11,13,15-17H2,1-3H3,(H,35,40);2-5,8-9,11,17H,6-7,10,12-13H2,1H3,(H,28,32)
InChIKeyAJLHHPQIDGEYTI-UHFFFAOYSA-N
MW3531.13 g/mol
LogP27.81
Rot. Bonds60

About 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 157134352) has the molecular formula C178H177BrCl6F10N26O23 and a molecular weight of 3531.13 g/mol. Its IUPAC name is 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID157134352
Molecular FormulaC178H177BrCl6F10N26O23
Molecular Weight3531.13 g/mol
Exact Mass3525.06
IUPAC Name2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccncc3)cc12
InChIInChI=1S/C31H34ClF3N4O4.2C31H29ClFN5O4.C31H31ClFN5O4.C30H32ClF3N4O4.C24H22BrClFN3O3/c1-19(2)39(16-27(41)36-14-22-6-4-7-25(32)30(22)33)29(43)17-38-15-24(20(3)40)23-12-21(8-9-26(23)38)13-28(42)37-11-5-10-31(34,35)18-37;1-19(39)25-16-37(27-11-8-20(13-24(25)27)31(42)36-15-22-6-2-3-12-34-22)18-29(41)38(23-9-10-23)17-28(40)35-14-21-5-4-7-26(32)30(21)33;1-19(39)25-16-37(27-8-5-21(13-24(25)27)31(42)36-14-20-9-11-34-12-10-20)18-29(41)38(23-6-7-23)17-28(40)35-15-22-3-2-4-26(32)30(22)33;1-19(2)38(17-28(40)35-15-23-7-4-8-26(32)30(23)33)29(41)18-37-16-25(20(3)39)24-12-22(9-10-27(24)37)31(42)36-14-21-6-5-11-34-13-21;1-18(2)38(15-26(40)35-13-21-6-4-7-24(31)28(21)32)27(41)16-37-14-23(19(3)39)22-12-20(8-9-25(22)37)29(42)36-11-5-10-30(33,34)17-36;1-14(31)19-11-29(21-9-16(25)5-8-18(19)21)13-23(33)30(17-6-7-17)12-22(32)28-10-15-3-2-4-20(26)24(15)27/h4,6-9,12,15,19H,5,10-11,13-14,16-18H2,1-3H3,(H,36,41);2-8,11-13,16,23H,9-10,14-15,17-18H2,1H3,(H,35,40)(H,36,42);2-5,8-13,16,23H,6-7,14-15,17-18H2,1H3,(H,35,40)(H,36,42);4-13,16,19H,14-15,17-18H2,1-3H3,(H,35,40)(H,36,42);4,6-9,12,14,18H,5,10-11,13,15-17H2,1-3H3,(H,35,40);2-5,8-9,11,17H,6-7,10,12-13H2,1H3,(H,28,32)
InChIKeyAJLHHPQIDGEYTI-UHFFFAOYSA-N
XLogP27.81
TPSA595.05 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds60
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003531.13
LogP ≤ 527.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide with MolForge

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Related Compounds

5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 157125572
N-[[4-chloro-3-[2-[2-(4-fluorophenyl)-1-methylindol-5-yl]acetyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;1-[5-[2-[2-(3-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;N-[[5-[2-[2-(3-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide
CID 157130849
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-methyl-1-oxo-3H-isoindol-5-yl)-2-pyridinyl]ethyl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 158486453
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;2-[2,4-bis(difluoromethyl)pyrrol-1-yl]-N-[(1S)-1-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]acetamide;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[2-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide
CID 159678769
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160444407
2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;carbon dioxide;3,3-difluoropiperidine;methane
CID 161112849
1-[(2S,4R)-1-[2-[6-bromo-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;3-(3-chloro-2-fluorophenyl)-1-[(2S,4R)-1-[2-[6-diethoxyphosphoryl-3-(2,2,2-trifluoroacetyl)indol-1-yl]acetyl]-4-fluoropyrrolidin-2-yl]propan-1-one;[1-[2-[(2S,4R)-2-[3-(3-chloro-2-fluorophenyl)propanoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2,2,2-trifluoroacetyl)indol-6-yl]phosphonic acid
CID 161309402
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[3,5-bis(difluoromethyl)pyrazol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-[5-(trifluoromethyl)-1H-indol-3-yl]acetamide
CID 161458785
2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;carbon dioxide;3,3-difluoropiperidine
CID 162105511
(2S,5S)-1-[(2S)-2-[(3-acetyl-5-chloroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-1-[(2S)-2-[(3-acetyl-5-fluoroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-1-[(2S)-2-[[3-acetyl-5-(trifluoromethyl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;(2S,5S)-2-cyclohexyl-1-[(2S)-2-[[5-fluoro-3-(2-methylphenyl)indol-1-yl]methyl]pyrrolidin-1-yl]-5-(methylamino)hexane-1,4-dione
CID 164995360
1-[2-[(3-Acetyl-5-chloroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;1-[2-[(3-acetyl-5-fluoroindol-1-yl)methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;1-[2-[[3-acetyl-5-(trifluoromethyl)indol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;2-cyclohexyl-1-[2-[[5-fluoro-3-(2-methylphenyl)indol-1-yl]methyl]pyrrolidin-1-yl]-5-(methylamino)hexane-1,4-dione
CID 164995361
lithium;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;2-(3-acetylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;2-(3-acetyl-5-methylindol-1-yl)acetic acid;2-(3-acetyl-5-methylindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;tris(carbon dioxide);N-[(3-chloro-2-fluorophenyl)methyl]-3-cyclopropylpropanamide;methane;pyridin-2-ylmethanamine;hydroxide
CID 157055867

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 157134352) is 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide is CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(CC(=O)N3CCCC(F)(F)C3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(Br)ccc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccccn3)cc12.CC(=O)c1cn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(C(=O)NCc3ccncc3)cc12.
What is the InChIKey of 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is AJLHHPQIDGEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClF3N4O4.2C31H29ClFN5O4.C31H31ClFN5O4.C30H32ClF3N4O4.C24H22BrClFN3O3/c1-19(2)39(16-27(41)36-14-22-6-4-7-25(32)30(22)33)29(43)17-38-15-24(20(3)40)23-12-21(8-9-26(23)38)13-28(42)37-11-5-10-31(34,35)18-37;1-19(39)25-16-37(27-11-8-20(13-24(25)27)31(42)36-15-22-6-2-3-12-34-22)18-29(41)38(23-9-10-23)17-28(40)35-14-21-5-4-7-26(32)30(21)33;1-19(39)25-16-37(27-8-5-21(13-24(25)27)31(42)36-14-20-9-11-34-12-10-20)18-29(41)38(23-6-7-23)17-28(40)35-15-22-3-2-4-26(32)30(22)33;1-19(2)38(17-28(40)35-15-23-7-4-8-26(32)30(23)33)29(41)18-37-16-25(20(3)39)24-12-22(9-10-27(24)37)31(42)36-14-21-6-5-11-34-13-21;1-18(2)38(15-26(40)35-13-21-6-4-7-24(31)28(21)32)27(41)16-37-14-23(19(3)39)22-12-20(8-9-25(22)37)29(42)36-11-5-10-30(33,34)17-36;1-14(31)19-11-29(21-9-16(25)5-8-18(19)21)13-23(33)30(17-6-7-17)12-22(32)28-10-15-3-2-4-20(26)24(15)27/h4,6-9,12,15,19H,5,10-11,13-14,16-18H2,1-3H3,(H,36,41);2-8,11-13,16,23H,9-10,14-15,17-18H2,1H3,(H,35,40)(H,36,42);2-5,8-13,16,23H,6-7,14-15,17-18H2,1H3,(H,35,40)(H,36,42);4-13,16,19H,14-15,17-18H2,1-3H3,(H,35,40)(H,36,42);4,6-9,12,14,18H,5,10-11,13,15-17H2,1-3H3,(H,35,40);2-5,8-9,11,17H,6-7,10,12-13H2,1H3,(H,28,32).
What are the key properties of 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 3531.13 g/mol, XLogP of 27.81, 60 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-6-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-cyclopropylacetamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-2-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)indole-5-carboxamide;3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)indole-5-carboxamide;2-[3-acetyl-5-(3,3-difluoropiperidine-1-carbonyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 157134352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).