6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C142H124F18N28O15 — CID 157205967

IUPAC6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCN1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)CC1.CN1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOC2=O)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC3(CCCC3=O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCCCC2)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3ccccc3C2)c(-c2cncnc2)c1
InChIInChI=1S/C25H22F3N5O3.C25H18F3N5O2.C24H24F3N5O2.C24H23F3N4O2.C22H21F3N6O2.C22H16F3N3O4/c26-25(27,28)36-19-5-3-18(4-6-19)32-23(35)16-10-20(17-11-29-15-30-12-17)22(31-13-16)33-9-8-24(14-33)7-1-2-21(24)34;26-25(27,28)35-21-7-5-20(6-8-21)32-24(34)18-9-22(19-10-29-15-30-11-19)23(31-12-18)33-13-16-3-1-2-4-17(16)14-33;1-31-10-3-11-32(13-12-31)22-21(17-4-2-9-28-15-17)14-18(16-29-22)23(33)30-19-5-7-20(8-6-19)34-24(25,26)27;25-24(26,27)33-20-9-7-19(8-10-20)30-23(32)18-14-21(17-6-5-11-28-15-17)22(29-16-18)31-12-3-1-2-4-13-31;1-30-6-8-31(9-7-30)20-19(16-11-26-14-27-12-16)10-15(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25;23-22(24,25)32-17-6-4-16(5-7-17)27-20(29)14-3-8-19(28-10-11-31-21(28)30)18(12-14)15-2-1-9-26-13-15/h3-6,10-13,15H,1-2,7-9,14H2,(H,32,35);1-12,15H,13-14H2,(H,32,34);2,4-9,14-16H,3,10-13H2,1H3,(H,30,33);5-11,14-16H,1-4,12-13H2,(H,30,32);2-5,10-14H,6-9H2,1H3,(H,29,32);1-9,12-13H,10-11H2,(H,27,29)
InChIKeyARJACQJPYYINOC-UHFFFAOYSA-N
MW2804.70 g/mol
LogP28.26
Rot. Bonds30

About 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 157205967) has the molecular formula C142H124F18N28O15 and a molecular weight of 2804.70 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID157205967
Molecular FormulaC142H124F18N28O15
Molecular Weight2804.70 g/mol
Exact Mass2802.95
IUPAC Name6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCN1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)CC1.CN1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOC2=O)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC3(CCCC3=O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCCCC2)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3ccccc3C2)c(-c2cncnc2)c1
InChIInChI=1S/C25H22F3N5O3.C25H18F3N5O2.C24H24F3N5O2.C24H23F3N4O2.C22H21F3N6O2.C22H16F3N3O4/c26-25(27,28)36-19-5-3-18(4-6-19)32-23(35)16-10-20(17-11-29-15-30-12-17)22(31-13-16)33-9-8-24(14-33)7-1-2-21(24)34;26-25(27,28)35-21-7-5-20(6-8-21)32-24(34)18-9-22(19-10-29-15-30-11-19)23(31-12-18)33-13-16-3-1-2-4-17(16)14-33;1-31-10-3-11-32(13-12-31)22-21(17-4-2-9-28-15-17)14-18(16-29-22)23(33)30-19-5-7-20(8-6-19)34-24(25,26)27;25-24(26,27)33-20-9-7-19(8-10-20)30-23(32)18-14-21(17-6-5-11-28-15-17)22(29-16-18)31-12-3-1-2-4-13-31;1-30-6-8-31(9-7-30)20-19(16-11-26-14-27-12-16)10-15(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25;23-22(24,25)32-17-6-4-16(5-7-17)27-20(29)14-3-8-19(28-10-11-31-21(28)30)18(12-14)15-2-1-9-26-13-15/h3-6,10-13,15H,1-2,7-9,14H2,(H,32,35);1-12,15H,13-14H2,(H,32,34);2,4-9,14-16H,3,10-13H2,1H3,(H,30,33);5-11,14-16H,1-4,12-13H2,(H,30,32);2-5,10-14H,6-9H2,1H3,(H,29,32);1-9,12-13H,10-11H2,(H,27,29)
InChIKeyARJACQJPYYINOC-UHFFFAOYSA-N
XLogP28.26
TPSA479.73 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002804.70
LogP ≤ 528.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

5-(3-tert-butyl-5-fluorophenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-ethylmorpholin-4-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-ethylphenyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(3-fluorophenyl)-6-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;methyl 3-fluoro-5-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-5-[[4-(trifluoromethoxy)phenyl]carbamoyl]-3-pyridinyl]benzoate;6-[(3R)-3-methylpyrrolidin-1-yl]-5-phenyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157241165
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-(3,3-difluoropyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157433635
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
CID 157457960
4-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 157937925
4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;3-(2-methylpyrimidin-5-yl)-4-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-methylpyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-pyridin-3-yl-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158228404
5,11-Dimethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-8-phenylpyrimido[4,5-b][1,4]benzodiazepin-6-one;5,11-dimethyl-2-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-(trifluoromethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;10-fluoro-2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5,10,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[2-methoxy-4-(4-piperidin-1-ylpiperidine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 158458036
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-ylpyridine-3-carboxamide;4-(3,3-dimethylpyrrolidin-1-yl)-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;tris(6-(3,3-dimethylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide);6-(3-fluoro-3-methylpyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 158466832
3-(6-methyl-3-pyridinyl)-4-[(3R)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide;5-(6-methyl-3-pyridinyl)-6-(3-methylpyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-[(3S)-3-methylpyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpyrrolidin-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;bis(6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide)
CID 158487871
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethoxy)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 158799862
5-[[4-[4-[(3-fluoro-5-methylphenyl)carbamoylamino]-N-methylanilino]pyrimidin-2-yl]methyl]-N-methyl-2-(2-pyrrolidin-1-ylethoxy)benzamide;1-[4-[[2-(4-methoxy-3-propanoylanilino)pyrimidin-4-yl]-methylamino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-[methyl-[2-[4-(4-methylpiperazin-1-yl)-3-propanoylanilino]pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-[methyl-[2-(4-methyl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one;1-[4-[methyl-[2-(4-morpholin-4-yl-3-propanoylanilino)pyrimidin-4-yl]amino]phenyl]-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-2-one
CID 159344319
4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylpyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-[(3S)-3-hydroxypyrrolidin-1-yl]-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-pyrimidin-5-yl-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 159844261
5,11-Dimethyl-2-[4-(pyridin-2-ylmethoxy)anilino]pyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-ethylpiperazine-1-carbonyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-[(3-fluorophenyl)methoxy]anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[4-(4-hydroxypiperidine-1-carbonyl)-3-(trifluoromethyl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 160074599

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 157205967) is 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is CN1CCCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cccnc2)CC1.CN1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)CC1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2CCOC2=O)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC3(CCCC3=O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCCCC2)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2Cc3ccccc3C2)c(-c2cncnc2)c1.
What is the InChIKey of 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is ARJACQJPYYINOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3.C25H18F3N5O2.C24H24F3N5O2.C24H23F3N4O2.C22H21F3N6O2.C22H16F3N3O4/c26-25(27,28)36-19-5-3-18(4-6-19)32-23(35)16-10-20(17-11-29-15-30-12-17)22(31-13-16)33-9-8-24(14-33)7-1-2-21(24)34;26-25(27,28)35-21-7-5-20(6-8-21)32-24(34)18-9-22(19-10-29-15-30-11-19)23(31-12-18)33-13-16-3-1-2-4-17(16)14-33;1-31-10-3-11-32(13-12-31)22-21(17-4-2-9-28-15-17)14-18(16-29-22)23(33)30-19-5-7-20(8-6-19)34-24(25,26)27;25-24(26,27)33-20-9-7-19(8-10-20)30-23(32)18-14-21(17-6-5-11-28-15-17)22(29-16-18)31-12-3-1-2-4-13-31;1-30-6-8-31(9-7-30)20-19(16-11-26-14-27-12-16)10-15(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25;23-22(24,25)32-17-6-4-16(5-7-17)27-20(29)14-3-8-19(28-10-11-31-21(28)30)18(12-14)15-2-1-9-26-13-15/h3-6,10-13,15H,1-2,7-9,14H2,(H,32,35);1-12,15H,13-14H2,(H,32,34);2,4-9,14-16H,3,10-13H2,1H3,(H,30,33);5-11,14-16H,1-4,12-13H2,(H,30,32);2-5,10-14H,6-9H2,1H3,(H,29,32);1-9,12-13H,10-11H2,(H,27,29).
What are the key properties of 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 2804.70 g/mol, XLogP of 28.26, 30 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(1,3-dihydroisoindol-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methyl-1,4-diazepan-1-yl)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(9-oxo-2-azaspiro[4.4]nonan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 157205967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).