2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C178H206F10N30O21 — CID 157397421

IUPAC2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(C(=O)Cc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCN(C)CC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1
InChIInChI=1S/C33H39F3N4O3.C32H38F3N5O3.C29H32F3N5O3.C29H33N5O4.C28H32N6O4.C27H32FN5O4/c1-4-43-32-30(40-11-13-42-14-12-40)20-27(21-37-32)29-19-26(6-5-23(29)2)31(41)18-24-15-25(17-28(16-24)33(34,35)36)22-39-9-7-38(3)8-10-39;1-4-43-31-29(40-9-11-42-12-10-40)18-25(19-37-31)28-17-26(20-36-22(28)2)30(41)16-23-13-24(15-27(14-23)32(33,34)35)21-39-7-5-38(3)6-8-39;1-19-25(16-23(18-33-19)35-27(38)20-4-3-5-22(14-20)29(30,31)32)21-15-26(37-10-12-39-13-11-37)28(34-17-21)40-24-6-8-36(2)9-7-24;1-19-5-6-23(33-27(36)21-7-8-31-26(14-21)29(3,4)18-30)15-24(19)22-13-25(34-9-11-37-12-10-34)28(32-16-22)38-17-20(2)35;1-18(35)16-38-27-24(34-7-9-37-10-8-34)11-21(14-32-27)23-13-22(15-31-19(23)2)33-26(36)20-5-6-30-25(12-20)28(3,4)17-29;1-17(34)16-37-26-23(33-7-9-36-10-8-33)11-20(14-31-26)22-13-21(15-30-18(22)2)32-25(35)19-5-6-29-24(12-19)27(3,4)28/h5-6,15-17,19-21H,4,7-14,18,22H2,1-3H3;13-15,17-20H,4-12,16,21H2,1-3H3;3-5,14-18,24H,6-13H2,1-2H3,(H,35,38);5-8,13-16,20,35H,9-12,17H2,1-4H3,(H,33,36);5-6,11-15,18,35H,7-10,16H2,1-4H3,(H,33,36);5-6,11-15,17,34H,7-10,16H2,1-4H3,(H,32,35)/t;;;20-;18-;17-/m...111/s1
InChIKeyBMSVBDCWCKLCTE-IDNVPOAGSA-N
MW3291.77 g/mol
LogP26.89
Rot. Bonds48

About 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 157397421) has the molecular formula C178H206F10N30O21 and a molecular weight of 3291.77 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID157397421
Molecular FormulaC178H206F10N30O21
Molecular Weight3291.77 g/mol
Exact Mass3289.58
IUPAC Name2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(C(=O)Cc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCN(C)CC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1
InChIInChI=1S/C33H39F3N4O3.C32H38F3N5O3.C29H32F3N5O3.C29H33N5O4.C28H32N6O4.C27H32FN5O4/c1-4-43-32-30(40-11-13-42-14-12-40)20-27(21-37-32)29-19-26(6-5-23(29)2)31(41)18-24-15-25(17-28(16-24)33(34,35)36)22-39-9-7-38(3)8-10-39;1-4-43-31-29(40-9-11-42-12-10-40)18-25(19-37-31)28-17-26(20-36-22(28)2)30(41)16-23-13-24(15-27(14-23)32(33,34)35)21-39-7-5-38(3)6-8-39;1-19-25(16-23(18-33-19)35-27(38)20-4-3-5-22(14-20)29(30,31)32)21-15-26(37-10-12-39-13-11-37)28(34-17-21)40-24-6-8-36(2)9-7-24;1-19-5-6-23(33-27(36)21-7-8-31-26(14-21)29(3,4)18-30)15-24(19)22-13-25(34-9-11-37-12-10-34)28(32-16-22)38-17-20(2)35;1-18(35)16-38-27-24(34-7-9-37-10-8-34)11-21(14-32-27)23-13-22(15-31-19(23)2)33-26(36)20-5-6-30-25(12-20)28(3,4)17-29;1-17(34)16-37-26-23(33-7-9-36-10-8-33)11-20(14-31-26)22-13-21(15-30-18(22)2)32-25(35)19-5-6-29-24(12-19)27(3,4)28/h5-6,15-17,19-21H,4,7-14,18,22H2,1-3H3;13-15,17-20H,4-12,16,21H2,1-3H3;3-5,14-18,24H,6-13H2,1-2H3,(H,35,38);5-8,13-16,20,35H,9-12,17H2,1-4H3,(H,33,36);5-6,11-15,18,35H,7-10,16H2,1-4H3,(H,33,36);5-6,11-15,17,34H,7-10,16H2,1-4H3,(H,32,35)/t;;;20-;18-;17-/m...111/s1
InChIKeyBMSVBDCWCKLCTE-IDNVPOAGSA-N
XLogP26.89
TPSA572.78 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds48
Heavy Atoms239
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003291.77
LogP ≤ 526.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Analyze 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

2-(2-cyanopropan-2-yl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463552
2-(2-cyanopropan-2-yl)-N-[3-[5-[(3R)-2-[2-[6-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-[(3R)-3-methyl-2-[2-[4-[(3R)-3-methylmorpholin-4-yl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]oxyethyl]-3-methylmorpholin-4-yl]-6-ethoxypyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425581
2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-[2-[[4-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]piperidin-1-yl]methyl]morpholin-4-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425624
6-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[2-[2-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridazine-4-carboxamide
CID 130425658
2-(2-cyanopropan-2-yl)-N-[3-[6-[1-[4-[6-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-methoxyethoxy)pyridazin-4-yl]morpholin-2-yl]propan-2-yloxy]-5-[2-[2-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-4-morpholin-4-ylpyridazin-3-yl]oxypropyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425721
N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425793
N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]pyridin-3-yl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]pyridin-3-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425796
N-[5-[2-[3-(fluoromethyl)oxetan-3-yl]-6-[2-[[2-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethoxy]pyridin-4-yl]-6-methylpyridin-3-yl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 135139020
2-(2-cyanopropan-2-yl)-N-[4-[2-[4-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(4-methyloxan-4-yl)pyridin-2-yl]oxyethoxymethyl]-3-[2-(2-hydroxyethoxy)-6-(4-methyloxan-4-yl)pyridin-4-yl]phenyl]pyridine-4-carboxamide
CID 138615513
N-[5-[6-[[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]phenyl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 154684305
N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;molecular hydrogen
CID 154684407
N-[5-[6-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 154684408

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 157397421) is 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCOc1ncc(-c2cc(C(=O)Cc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(C(=O)Cc3cc(CN4CCN(C)CC4)cc(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCN(C)CC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is BMSVBDCWCKLCTE-IDNVPOAGSA-N. The full InChI is InChI=1S/C33H39F3N4O3.C32H38F3N5O3.C29H32F3N5O3.C29H33N5O4.C28H32N6O4.C27H32FN5O4/c1-4-43-32-30(40-11-13-42-14-12-40)20-27(21-37-32)29-19-26(6-5-23(29)2)31(41)18-24-15-25(17-28(16-24)33(34,35)36)22-39-9-7-38(3)8-10-39;1-4-43-31-29(40-9-11-42-12-10-40)18-25(19-37-31)28-17-26(20-36-22(28)2)30(41)16-23-13-24(15-27(14-23)32(33,34)35)21-39-7-5-38(3)6-8-39;1-19-25(16-23(18-33-19)35-27(38)20-4-3-5-22(14-20)29(30,31)32)21-15-26(37-10-12-39-13-11-37)28(34-17-21)40-24-6-8-36(2)9-7-24;1-19-5-6-23(33-27(36)21-7-8-31-26(14-21)29(3,4)18-30)15-24(19)22-13-25(34-9-11-37-12-10-34)28(32-16-22)38-17-20(2)35;1-18(35)16-38-27-24(34-7-9-37-10-8-34)11-21(14-32-27)23-13-22(15-31-19(23)2)33-26(36)20-5-6-30-25(12-20)28(3,4)17-29;1-17(34)16-37-26-23(33-7-9-36-10-8-33)11-20(14-31-26)22-13-21(15-30-18(22)2)32-25(35)19-5-6-29-24(12-19)27(3,4)28/h5-6,15-17,19-21H,4,7-14,18,22H2,1-3H3;13-15,17-20H,4-12,16,21H2,1-3H3;3-5,14-18,24H,6-13H2,1-2H3,(H,35,38);5-8,13-16,20,35H,9-12,17H2,1-4H3,(H,33,36);5-6,11-15,18,35H,7-10,16H2,1-4H3,(H,33,36);5-6,11-15,17,34H,7-10,16H2,1-4H3,(H,32,35)/t;;;20-;18-;17-/m...111/s1.
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3291.77 g/mol, XLogP of 26.89, 48 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[5-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[6-(1-methylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157397421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).