3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C151H126F20N22O11 — CID 158297385

IUPAC3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)C(=O)CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(F)(F)F)cn2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2cccnc2)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3cc(F)ccc32)c1
InChIInChI=1S/C35H29F3N4O3.C32H27F3N4O2.C29H25F6N5O2.C28H24F2N4O2.C27H21F6N5O2/c1-39-35(45)26-17-21(11-12-27(26)38)24-7-5-13-40-34(24)28(16-20-14-22(36)18-23(37)15-20)41-32(44)19-42-29-8-3-2-6-25(29)33-30(42)9-4-10-31(33)43;1-19-11-23-16-24(33)8-9-29(23)39(19)18-30(40)38-28(14-20-12-25(34)17-26(35)13-20)31-27(7-4-10-37-31)21-5-3-6-22(15-21)32(41)36-2;1-3-24(40-10-8-25(39-40)29(33,34)35)28(42)38-23(13-16-11-18(30)15-19(31)12-16)26-20(5-4-9-37-26)17-6-7-22(32)21(14-17)27(41)36-2;1-31-28(36)21-7-2-6-20(15-21)24-8-4-10-33-27(24)25(13-19-11-22(29)16-23(30)12-19)34-26(35)14-18-5-3-9-32-17-18;1-34-26(40)21-10-16(4-5-22(21)30)20-3-2-6-35-25(20)23(9-15-7-18(28)11-19(29)8-15)37-24(39)14-38-13-17(12-36-38)27(31,32)33/h2-3,5-8,11-15,17-18,28H,4,9-10,16,19H2,1H3,(H,39,45)(H,41,44);3-13,15-17,28H,14,18H2,1-2H3,(H,36,41)(H,38,40);4-12,14-15,23-24H,3,13H2,1-2H3,(H,36,41)(H,38,42);2-12,15-17,25H,13-14H2,1H3,(H,31,36)(H,34,35);2-8,10-13,23H,9,14H2,1H3,(H,34,40)(H,37,39)/t2*28-;23-,24?;25-;23-/m00000/s1
InChIKeyGMBQRGPYQLIQBS-GEFRXMLHSA-N
MW2804.77 g/mol
LogP27.05
Rot. Bonds41

About 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 158297385) has the molecular formula C151H126F20N22O11 and a molecular weight of 2804.77 g/mol. Its IUPAC name is 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID158297385
Molecular FormulaC151H126F20N22O11
Molecular Weight2804.77 g/mol
Exact Mass2802.97
IUPAC Name3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)C(=O)CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(F)(F)F)cn2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2cccnc2)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3cc(F)ccc32)c1
InChIInChI=1S/C35H29F3N4O3.C32H27F3N4O2.C29H25F6N5O2.C28H24F2N4O2.C27H21F6N5O2/c1-39-35(45)26-17-21(11-12-27(26)38)24-7-5-13-40-34(24)28(16-20-14-22(36)18-23(37)15-20)41-32(44)19-42-29-8-3-2-6-25(29)33-30(42)9-4-10-31(33)43;1-19-11-23-16-24(33)8-9-29(23)39(19)18-30(40)38-28(14-20-12-25(34)17-26(35)13-20)31-27(7-4-10-37-31)21-5-3-6-22(15-21)32(41)36-2;1-3-24(40-10-8-25(39-40)29(33,34)35)28(42)38-23(13-16-11-18(30)15-19(31)12-16)26-20(5-4-9-37-26)17-6-7-22(32)21(14-17)27(41)36-2;1-31-28(36)21-7-2-6-20(15-21)24-8-4-10-33-27(24)25(13-19-11-22(29)16-23(30)12-19)34-26(35)14-18-5-3-9-32-17-18;1-34-26(40)21-10-16(4-5-22(21)30)20-3-2-6-35-25(20)23(9-15-7-18(28)11-19(29)8-15)37-24(39)14-38-13-17(12-36-38)27(31,32)33/h2-3,5-8,11-15,17-18,28H,4,9-10,16,19H2,1H3,(H,39,45)(H,41,44);3-13,15-17,28H,14,18H2,1-2H3,(H,36,41)(H,38,40);4-12,14-15,23-24H,3,13H2,1-2H3,(H,36,41)(H,38,42);2-12,15-17,25H,13-14H2,1H3,(H,31,36)(H,34,35);2-8,10-13,23H,9,14H2,1H3,(H,34,40)(H,37,39)/t2*28-;23-,24?;25-;23-/m00000/s1
InChIKeyGMBQRGPYQLIQBS-GEFRXMLHSA-N
XLogP27.05
TPSA430.91 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds41
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.77
LogP ≤ 527.05
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Analyze 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

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CID 66576610
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]indole-3-carboxamide
CID 118711090
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide
CID 118711100
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
CID 118711175
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indole-3-carboxamide
CID 118711176
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
CID 118711178
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 118711179
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
CID 118711180
US9796741, cmp No. 38
CID 118323623
US10822352, Comp No. 169
CID 139314115
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 158297385) is 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1ccc(C(F)(F)F)n1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c3c(c4ccccc42)C(=O)CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(F)(F)F)cn2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2cccnc2)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3cc(F)ccc32)c1.
What is the InChIKey of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is GMBQRGPYQLIQBS-GEFRXMLHSA-N. The full InChI is InChI=1S/C35H29F3N4O3.C32H27F3N4O2.C29H25F6N5O2.C28H24F2N4O2.C27H21F6N5O2/c1-39-35(45)26-17-21(11-12-27(26)38)24-7-5-13-40-34(24)28(16-20-14-22(36)18-23(37)15-20)41-32(44)19-42-29-8-3-2-6-25(29)33-30(42)9-4-10-31(33)43;1-19-11-23-16-24(33)8-9-29(23)39(19)18-30(40)38-28(14-20-12-25(34)17-26(35)13-20)31-27(7-4-10-37-31)21-5-3-6-22(15-21)32(41)36-2;1-3-24(40-10-8-25(39-40)29(33,34)35)28(42)38-23(13-16-11-18(30)15-19(31)12-16)26-20(5-4-9-37-26)17-6-7-22(32)21(14-17)27(41)36-2;1-31-28(36)21-7-2-6-20(15-21)24-8-4-10-33-27(24)25(13-19-11-22(29)16-23(30)12-19)34-26(35)14-18-5-3-9-32-17-18;1-34-26(40)21-10-16(4-5-22(21)30)20-3-2-6-35-25(20)23(9-15-7-18(28)11-19(29)8-15)37-24(39)14-38-13-17(12-36-38)27(31,32)33/h2-3,5-8,11-15,17-18,28H,4,9-10,16,19H2,1H3,(H,39,45)(H,41,44);3-13,15-17,28H,14,18H2,1-2H3,(H,36,41)(H,38,40);4-12,14-15,23-24H,3,13H2,1-2H3,(H,36,41)(H,38,42);2-12,15-17,25H,13-14H2,1H3,(H,31,36)(H,34,35);2-8,10-13,23H,9,14H2,1H3,(H,34,40)(H,37,39)/t2*28-;23-,24?;25-;23-/m00000/s1.
What are the key properties of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2804.77 g/mol, XLogP of 27.05, 41 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 158297385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).