N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide

C111H100F8N14O8 — CID 159138601

IUPACN-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3cccnc3)cc2n1Cc1ccccn1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1
InChIInChI=1S/2C30H26F2N4O2.C26H25F2N3O2.C25H23F2N3O2/c1-19(2)29-28(30(37)35-17-20-9-12-24(31)25(32)15-20)23-11-10-22(38-27-8-4-6-14-34-27)16-26(23)36(29)18-21-7-3-5-13-33-21;1-19(2)29-28(30(37)35-16-20-8-11-25(31)26(32)14-20)24-10-9-22(38-23-7-5-12-33-17-23)15-27(24)36(29)18-21-6-3-4-13-34-21;1-16(2)25-24(26(32)30-14-17-7-10-21(27)22(28)12-17)20-9-8-19(33-3)13-23(20)31(25)15-18-6-4-5-11-29-18;1-15(2)24-23(25(32)29-13-16-6-9-20(26)21(27)11-16)19-8-7-18(31)12-22(19)30(24)14-17-5-3-4-10-28-17/h3-16,19H,17-18H2,1-2H3,(H,35,37);3-15,17,19H,16,18H2,1-2H3,(H,35,37);4-13,16H,14-15H2,1-3H3,(H,30,32);3-12,15,31H,13-14H2,1-2H3,(H,29,32)
InChIKeyKHUWFHZICVJOAC-UHFFFAOYSA-N
MW1910.09 g/mol
LogP23.75
Rot. Bonds29

About N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide (PubChem CID 159138601) has the molecular formula C111H100F8N14O8 and a molecular weight of 1910.09 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide
PubChem CID159138601
Molecular FormulaC111H100F8N14O8
Molecular Weight1910.09 g/mol
Exact Mass1908.77
IUPAC NameN-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3cccnc3)cc2n1Cc1ccccn1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1
InChIInChI=1S/2C30H26F2N4O2.C26H25F2N3O2.C25H23F2N3O2/c1-19(2)29-28(30(37)35-17-20-9-12-24(31)25(32)15-20)23-11-10-22(38-27-8-4-6-14-34-27)16-26(23)36(29)18-21-7-3-5-13-33-21;1-19(2)29-28(30(37)35-16-20-8-11-25(31)26(32)14-20)24-10-9-22(38-23-7-5-12-33-17-23)15-27(24)36(29)18-21-6-3-4-13-34-21;1-16(2)25-24(26(32)30-14-17-7-10-21(27)22(28)12-17)20-9-8-19(33-3)13-23(20)31(25)15-18-6-4-5-11-29-18;1-15(2)24-23(25(32)29-13-16-6-9-20(26)21(27)11-16)19-8-7-18(31)12-22(19)30(24)14-17-5-3-4-10-28-17/h3-16,19H,17-18H2,1-2H3,(H,35,37);3-15,17,19H,16,18H2,1-2H3,(H,35,37);4-13,16H,14-15H2,1-3H3,(H,30,32);3-12,15,31H,13-14H2,1-2H3,(H,29,32)
InChIKeyKHUWFHZICVJOAC-UHFFFAOYSA-N
XLogP23.75
TPSA261.38 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.09
LogP ≤ 523.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide with MolForge

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Related Compounds

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CID 59762396
5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(2-oxo-1-pyridinyl)-1-benzofuran-3-carboxamide;5-(15-fluoro-8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11(16),12,14-heptaen-4-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-[6-(trifluoromethyl)-3-pyridinyl]-1-benzofuran-3-carboxamide
CID 144681678
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
tert-butyl (3S,4R)-3-phenyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate;methane;(3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;(3R,4S)-4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide;3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]aniline
CID 157940450
(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158611555
6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide;6-methyl-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 158782988
tert-butyl (3R,4S)-3-phenyl-4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]carbamoyl]pyrrolidine-1-carboxylate;(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-3-carboxylic acid;(3S,4R)-4-phenyl-N-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidine-3-carboxamide;3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]aniline
CID 159680501
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
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1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[6-methoxy-1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide (CID 159138601) is N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3cccnc3)cc2n1Cc1ccccn1.COc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide?
The InChIKey is KHUWFHZICVJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H26F2N4O2.C26H25F2N3O2.C25H23F2N3O2/c1-19(2)29-28(30(37)35-17-20-9-12-24(31)25(32)15-20)23-11-10-22(38-27-8-4-6-14-34-27)16-26(23)36(29)18-21-7-3-5-13-33-21;1-19(2)29-28(30(37)35-16-20-8-11-25(31)26(32)14-20)24-10-9-22(38-23-7-5-12-33-17-23)15-27(24)36(29)18-21-6-3-4-13-34-21;1-16(2)25-24(26(32)30-14-17-7-10-21(27)22(28)12-17)20-9-8-19(33-3)13-23(20)31(25)15-18-6-4-5-11-29-18;1-15(2)24-23(25(32)29-13-16-6-9-20(26)21(27)11-16)19-8-7-18(31)12-22(19)30(24)14-17-5-3-4-10-28-17/h3-16,19H,17-18H2,1-2H3,(H,35,37);3-15,17,19H,16,18H2,1-2H3,(H,35,37);4-13,16H,14-15H2,1-3H3,(H,30,32);3-12,15,31H,13-14H2,1-2H3,(H,29,32).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide has a molecular weight of 1910.09 g/mol, XLogP of 23.75, 29 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-6-methoxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)indole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-2-yloxyindole-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-pyridin-3-yloxyindole-3-carboxamide is sourced from PubChem (CID 159138601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).