1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide

C139H137F15N34O16 — CID 158442339

IUPAC1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)C1.COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5ccc(OC)nc5)cc4C(F)(F)F)cn3)c2)CC1.COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(C5CCOCC5)cc4C(F)(F)F)cn3)c2)CC1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NC1CC1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCCN1CCOCC1
InChIInChI=1S/C29H30F3N7O3.C29H27F3N6O3.C28H27F3N8O4.C28H33F3N6O3.C25H20F3N7O3/c1-41-15-14-37-10-12-38(13-11-37)22-5-3-4-20(16-22)28(40)35-26-8-7-23(19-33-26)39-25(29(30,31)32)17-24(36-39)21-6-9-27(42-2)34-18-21;1-2-41-28(40)21-8-5-13-37(18-21)22-9-3-6-19(14-22)27(39)35-26-11-10-23(17-34-26)38-25(29(30,31)32)15-24(36-38)20-7-4-12-33-16-20;29-28(30,31)23-14-22(19-2-1-7-32-15-19)36-39(23)21-4-5-24(34-16-21)35-27(42)20-3-6-26(41)38(17-20)18-25(40)33-8-9-37-10-12-43-13-11-37;1-39-16-13-35-9-11-36(12-10-35)22-4-2-3-21(17-22)27(38)33-26-6-5-23(19-32-26)37-25(28(29,30)31)18-24(34-37)20-7-14-40-15-8-20;26-25(27,28)20-10-19(15-2-1-9-29-11-15)33-35(20)18-6-7-21(30-12-18)32-24(38)16-3-8-23(37)34(13-16)14-22(36)31-17-4-5-17/h3-9,16-19H,10-15H2,1-2H3,(H,33,35,40);3-4,6-7,9-12,14-17,21H,2,5,8,13,18H2,1H3,(H,34,35,39);1-7,14-17H,8-13,18H2,(H,33,40)(H,34,35,42);2-6,17-20H,7-16H2,1H3,(H,32,33,38);1-3,6-13,17H,4-5,14H2,(H,31,36)(H,30,32,38)
InChIKeyHCYYCYLRGWKCNO-UHFFFAOYSA-N
MW2824.82 g/mol
LogP19.21
Rot. Bonds40

About 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide

1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 158442339) has the molecular formula C139H137F15N34O16 and a molecular weight of 2824.82 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID158442339
Molecular FormulaC139H137F15N34O16
Molecular Weight2824.82 g/mol
Exact Mass2823.07
IUPAC Name1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)C1.COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5ccc(OC)nc5)cc4C(F)(F)F)cn3)c2)CC1.COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(C5CCOCC5)cc4C(F)(F)F)cn3)c2)CC1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NC1CC1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCCN1CCOCC1
InChIInChI=1S/C29H30F3N7O3.C29H27F3N6O3.C28H27F3N8O4.C28H33F3N6O3.C25H20F3N7O3/c1-41-15-14-37-10-12-38(13-11-37)22-5-3-4-20(16-22)28(40)35-26-8-7-23(19-33-26)39-25(29(30,31)32)17-24(36-39)21-6-9-27(42-2)34-18-21;1-2-41-28(40)21-8-5-13-37(18-21)22-9-3-6-19(14-22)27(39)35-26-11-10-23(17-34-26)38-25(29(30,31)32)15-24(36-38)20-7-4-12-33-16-20;29-28(30,31)23-14-22(19-2-1-7-32-15-19)36-39(23)21-4-5-24(34-16-21)35-27(42)20-3-6-26(41)38(17-20)18-25(40)33-8-9-37-10-12-43-13-11-37;1-39-16-13-35-9-11-36(12-10-35)22-4-2-3-21(17-22)27(38)33-26-6-5-23(19-32-26)37-25(28(29,30)31)18-24(34-37)20-7-14-40-15-8-20;26-25(27,28)20-10-19(15-2-1-9-29-11-15)33-35(20)18-6-7-21(30-12-18)32-24(38)16-3-8-23(37)34(13-16)14-22(36)31-17-4-5-17/h3-9,16-19H,10-15H2,1-2H3,(H,33,35,40);3-4,6-7,9-12,14-17,21H,2,5,8,13,18H2,1H3,(H,34,35,39);1-7,14-17H,8-13,18H2,(H,33,40)(H,34,35,42);2-6,17-20H,7-16H2,1H3,(H,32,33,38);1-3,6-13,17H,4-5,14H2,(H,31,36)(H,30,32,38)
InChIKeyHCYYCYLRGWKCNO-UHFFFAOYSA-N
XLogP19.21
TPSA544.70 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds40
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002824.82
LogP ≤ 519.21
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[4-[4-[[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;N-[3-carbamoyl-1-[4-[3-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]propyl-methylcarbamoyl]cyclohexyl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;4-[3-carbamoyl-4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carbonyl]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid;3-[3-methyl-4-[3-[3-(methylamino)propoxy]propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;phosphanylphosphane
CID 157064188
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-4-fluoro-2-(1-methylpyrazol-3-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-methyl-3-pyrazol-1-ylpyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide
CID 157065681
tert-butyl 4-[3-[2-[[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]amino]-2-oxoethyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[[2-[4-(oxan-4-yl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157244886
tert-butyl 4-[3-[3-[6-[4-[4-(methylcarbamoyl)triazol-1-yl]butyl]pyridazin-3-yl]-2-oxopropyl]phenyl]piperidine-1-carboxylate;N-methyl-1-[4-[6-[3-[3-(oxan-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[3-[4-(oxan-4-yl)-2-pyridinyl]-2-oxopropyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(2-oxopiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-(4-phenylpiperidin-1-yl)acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide
CID 157456231
2-[4-amino-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-3-yl]propan-2-ol;tert-butyl N-[4-[4-[[1-(4-formylcyclohexyl)-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-[4-[[1-[4-(hydroxymethyl)cyclohexyl]-3-(2-hydroxypropan-2-yl)pyrazol-4-yl]carbamoyl]-1,3-oxazol-2-yl]-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]-1,3-oxazole-4-carboxylic acid;oxotungsten
CID 157550383
(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-(2-methylpyrimidin-5-yl)-5-oxa-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-(2-methylpyrimidin-5-yl)-4-oxa-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraen-20-one;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-(2-methylpyrimidin-5-yl)-17,18,21-triazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;(1R,22R,25S)-16-acetyl-13-(2-methylpyrimidin-5-yl)-25-[2-[3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetyl]-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione
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1-[4-[[[(2S)-2-aminopropanoyl]amino]methyl]-2-pyridinyl]-N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;tert-butyl N-[(2S)-1-[[2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate;tert-butyl N-[(2S)-1-[[2-[5-[(2-methoxyphenyl)methylcarbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methylamino]-1-oxopropan-2-yl]carbamate;(2-methoxyphenyl)methanamine;1-[4-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-2-pyridinyl]-3-(trifluoromethyl)pyrazole-5-carboxylic acid
CID 157599042
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-2-methyl-4-phenylpyrimidine-5-carboxamide;N-[(2S)-1-[5-(1,1-difluoroethyl)pyrazin-2-yl]oxypropan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-5-fluoro-2-(triazol-2-yl)pyridine-3-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide;N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine-3-carboxamide;N-ethyl-6-methyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-3-(triazol-2-yl)pyridine-2-carboxamide
CID 157682785
1-[3-(ethylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-[3-(methylamino)-3-oxopropyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;methyl 4-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]benzoate;2-[2-oxo-5-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]-1-pyridinyl]acetic acid;3-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]propanoic acid;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 157731368
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
1-[6-(dimethylamino)-1-methylpyrazolo[5,4-b]pyridin-3-yl]-2-piperidin-3-ylethanone;6-(2-hydroxyethylamino)-1-methyl-N-phenylpyrazolo[5,4-b]pyridine-3-carboxamide;2-methyl-6-[methyl(2-methylpropyl)amino]-N-pyridin-3-ylpyrazolo[3,4-b]pyridine-3-carboxamide;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-piperidin-3-ylethanone;1-(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-3-ylethanone;2-phenyl-1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone;1-(6-propan-2-yloxy-2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridin-4-ylethanone;tris(2,2,2-trifluoroacetic acid);1,1,1-trifluoropropan-2-one
CID 157874743
3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 158033429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 158442339) is 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide is CCOC(=O)C1CCCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)C1.COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5ccc(OC)nc5)cc4C(F)(F)F)cn3)c2)CC1.COCCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(C5CCOCC5)cc4C(F)(F)F)cn3)c2)CC1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NC1CC1.O=C(Cn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccc1=O)NCCN1CCOCC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is HCYYCYLRGWKCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N7O3.C29H27F3N6O3.C28H27F3N8O4.C28H33F3N6O3.C25H20F3N7O3/c1-41-15-14-37-10-12-38(13-11-37)22-5-3-4-20(16-22)28(40)35-26-8-7-23(19-33-26)39-25(29(30,31)32)17-24(36-39)21-6-9-27(42-2)34-18-21;1-2-41-28(40)21-8-5-13-37(18-21)22-9-3-6-19(14-22)27(39)35-26-11-10-23(17-34-26)38-25(29(30,31)32)15-24(36-38)20-7-4-12-33-16-20;29-28(30,31)23-14-22(19-2-1-7-32-15-19)36-39(23)21-4-5-24(34-16-21)35-27(42)20-3-6-26(41)38(17-20)18-25(40)33-8-9-37-10-12-43-13-11-37;1-39-16-13-35-9-11-36(12-10-35)22-4-2-3-21(17-22)27(38)33-26-6-5-23(19-32-26)37-25(28(29,30)31)18-24(34-37)20-7-14-40-15-8-20;26-25(27,28)20-10-19(15-2-1-9-29-11-15)33-35(20)18-6-7-21(30-12-18)32-24(38)16-3-8-23(37)34(13-16)14-22(36)31-17-4-5-17/h3-9,16-19H,10-15H2,1-2H3,(H,33,35,40);3-4,6-7,9-12,14-17,21H,2,5,8,13,18H2,1H3,(H,34,35,39);1-7,14-17H,8-13,18H2,(H,33,40)(H,34,35,42);2-6,17-20H,7-16H2,1H3,(H,32,33,38);1-3,6-13,17H,4-5,14H2,(H,31,36)(H,30,32,38).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 2824.82 g/mol, XLogP of 19.21, 40 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;ethyl 1-[3-[[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamoyl]phenyl]piperidine-3-carboxylate;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 158442339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).