2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C212H229F16N37O27 — CID 160617981

IUPAC2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=C(/C=C(\C)c1cnc(OCCO)c(N2CCOCC2)c1)NC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(C(=O)Cc2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(C(=O)Cc2cccc(C(C)(C)C#N)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C30H35F3N4O3.C30H34N4O3.C27H33F3N4O4.C27H32N4O5.C25H24F2N6O2.C25H26F2N4O4.C24H21F3N6O2.C24H24F3N5O4/c1-18(2)40-28-26(37-6-8-39-9-7-37)14-21(16-36-28)25-13-22(17-35-19(25)3)27(38)12-20-10-23(29(4,5)34)15-24(11-20)30(31,32)33;1-20(2)37-29-27(34-9-11-36-12-10-34)16-23(17-33-29)26-15-24(18-32-21(26)3)28(35)14-22-7-6-8-25(13-22)30(4,5)19-31;1-18(22-15-24(34-5-8-37-9-6-34)26(31-16-22)38-10-7-35)11-19(2)32-25(36)21-12-20(17-33(3)4)13-23(14-21)27(28,29)30;1-18-4-5-21(30-25(33)19-6-7-28-24(15-19)27(2,3)34)16-22(18)20-14-23(31-8-11-35-12-9-31)26(29-17-20)36-13-10-32;1-15-3-4-17(30-24(34)16-5-7-28-20(13-16)25(2,26)27)14-18(15)22-31-19-6-8-29-21(19)23(32-22)33-9-11-35-12-10-33;1-16-2-3-19(30-24(33)17-4-5-28-21(12-17)23(26)27)14-20(16)18-13-22(31-6-9-34-10-7-31)25(29-15-18)35-11-8-32;1-14-2-3-16(30-23(34)15-4-6-28-19(12-15)24(25,26)27)13-17(14)21-31-18-5-7-29-20(18)22(32-21)33-8-10-35-11-9-33;1-15-2-3-18(30-22(34)17-11-21(24(25,26)27)31-29-14-17)12-19(15)16-10-20(32-4-7-35-8-5-32)23(28-13-16)36-9-6-33/h10-11,13-18H,6-9,12,34H2,1-5H3;6-8,13,15-18,20H,9-12,14H2,1-5H3;11-16,35H,2,5-10,17H2,1,3-4H3,(H,32,36);4-7,14-17,32,34H,8-13H2,1-3H3,(H,30,33);3-8,13-14,29H,9-12H2,1-2H3,(H,30,34);2-5,12-15,23,32H,6-11H2,1H3,(H,30,33);2-7,12-13,29H,8-11H2,1H3,(H,30,34);2-3,10-14,33H,4-9H2,1H3,(H,30,34)/b;;18-11+;;;;;
InChIKeyRGIKHMXRSZYXAG-VJSHINADSA-N
MW4031.36 g/mol
LogP34.01
Rot. Bonds58

About 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 160617981) has the molecular formula C212H229F16N37O27 and a molecular weight of 4031.36 g/mol. Its IUPAC name is 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID160617981
Molecular FormulaC212H229F16N37O27
Molecular Weight4031.36 g/mol
Exact Mass4028.74
IUPAC Name2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC=C(/C=C(\C)c1cnc(OCCO)c(N2CCOCC2)c1)NC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(C(=O)Cc2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(C(=O)Cc2cccc(C(C)(C)C#N)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1
InChIInChI=1S/C30H35F3N4O3.C30H34N4O3.C27H33F3N4O4.C27H32N4O5.C25H24F2N6O2.C25H26F2N4O4.C24H21F3N6O2.C24H24F3N5O4/c1-18(2)40-28-26(37-6-8-39-9-7-37)14-21(16-36-28)25-13-22(17-35-19(25)3)27(38)12-20-10-23(29(4,5)34)15-24(11-20)30(31,32)33;1-20(2)37-29-27(34-9-11-36-12-10-34)16-23(17-33-29)26-15-24(18-32-21(26)3)28(35)14-22-7-6-8-25(13-22)30(4,5)19-31;1-18(22-15-24(34-5-8-37-9-6-34)26(31-16-22)38-10-7-35)11-19(2)32-25(36)21-12-20(17-33(3)4)13-23(14-21)27(28,29)30;1-18-4-5-21(30-25(33)19-6-7-28-24(15-19)27(2,3)34)16-22(18)20-14-23(31-8-11-35-12-9-31)26(29-17-20)36-13-10-32;1-15-3-4-17(30-24(34)16-5-7-28-20(13-16)25(2,26)27)14-18(15)22-31-19-6-8-29-21(19)23(32-22)33-9-11-35-12-10-33;1-16-2-3-19(30-24(33)17-4-5-28-21(12-17)23(26)27)14-20(16)18-13-22(31-6-9-34-10-7-31)25(29-15-18)35-11-8-32;1-14-2-3-16(30-23(34)15-4-6-28-19(12-15)24(25,26)27)13-17(14)21-31-18-5-7-29-20(18)22(32-21)33-8-10-35-11-9-33;1-15-2-3-18(30-22(34)17-11-21(24(25,26)27)31-29-14-17)12-19(15)16-10-20(32-4-7-35-8-5-32)23(28-13-16)36-9-6-33/h10-11,13-18H,6-9,12,34H2,1-5H3;6-8,13,15-18,20H,9-12,14H2,1-5H3;11-16,35H,2,5-10,17H2,1,3-4H3,(H,32,36);4-7,14-17,32,34H,8-13H2,1-3H3,(H,30,33);3-8,13-14,29H,9-12H2,1-2H3,(H,30,34);2-5,12-15,23,32H,6-11H2,1H3,(H,30,33);2-7,12-13,29H,8-11H2,1H3,(H,30,34);2-3,10-14,33H,4-9H2,1H3,(H,30,34)/b;;18-11+;;;;;
InChIKeyRGIKHMXRSZYXAG-VJSHINADSA-N
XLogP34.01
TPSA781.68 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds58
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004031.36
LogP ≤ 534.01
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Analyze 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 160617981) is 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C=C(/C=C(\C)c1cnc(OCCO)c(N2CCOCC2)c1)NC(=O)c1cc(CN(C)C)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1nc(N2CCOCC2)c2[nH]ccc2n1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(C(=O)Cc2cc(C(C)(C)N)cc(C(F)(F)F)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.Cc1ncc(C(=O)Cc2cccc(C(C)(C)C#N)c2)cc1-c1cnc(OC(C)C)c(N2CCOCC2)c1.
What is the InChIKey of 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is RGIKHMXRSZYXAG-VJSHINADSA-N. The full InChI is InChI=1S/C30H35F3N4O3.C30H34N4O3.C27H33F3N4O4.C27H32N4O5.C25H24F2N6O2.C25H26F2N4O4.C24H21F3N6O2.C24H24F3N5O4/c1-18(2)40-28-26(37-6-8-39-9-7-37)14-21(16-36-28)25-13-22(17-35-19(25)3)27(38)12-20-10-23(29(4,5)34)15-24(11-20)30(31,32)33;1-20(2)37-29-27(34-9-11-36-12-10-34)16-23(17-33-29)26-15-24(18-32-21(26)3)28(35)14-22-7-6-8-25(13-22)30(4,5)19-31;1-18(22-15-24(34-5-8-37-9-6-34)26(31-16-22)38-10-7-35)11-19(2)32-25(36)21-12-20(17-33(3)4)13-23(14-21)27(28,29)30;1-18-4-5-21(30-25(33)19-6-7-28-24(15-19)27(2,3)34)16-22(18)20-14-23(31-8-11-35-12-9-31)26(29-17-20)36-13-10-32;1-15-3-4-17(30-24(34)16-5-7-28-20(13-16)25(2,26)27)14-18(15)22-31-19-6-8-29-21(19)23(32-22)33-9-11-35-12-10-33;1-16-2-3-19(30-24(33)17-4-5-28-21(12-17)23(26)27)14-20(16)18-13-22(31-6-9-34-10-7-31)25(29-15-18)35-11-8-32;1-14-2-3-16(30-23(34)15-4-6-28-19(12-15)24(25,26)27)13-17(14)21-31-18-5-7-29-20(18)22(32-21)33-8-10-35-11-9-33;1-15-2-3-18(30-22(34)17-11-21(24(25,26)27)31-29-14-17)12-19(15)16-10-20(32-4-7-35-8-5-32)23(28-13-16)36-9-6-33/h10-11,13-18H,6-9,12,34H2,1-5H3;6-8,13,15-18,20H,9-12,14H2,1-5H3;11-16,35H,2,5-10,17H2,1,3-4H3,(H,32,36);4-7,14-17,32,34H,8-13H2,1-3H3,(H,30,33);3-8,13-14,29H,9-12H2,1-2H3,(H,30,34);2-5,12-15,23,32H,6-11H2,1H3,(H,30,33);2-7,12-13,29H,8-11H2,1H3,(H,30,34);2-3,10-14,33H,4-9H2,1H3,(H,30,34)/b;;18-11+;;;;;.
What are the key properties of 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 4031.36 g/mol, XLogP of 34.01, 58 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;2-(1,1-difluoroethyl)-N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;3-[(dimethylamino)methyl]-N-[(3E)-4-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]penta-1,3-dien-2-yl]-5-(trifluoromethyl)benzamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-methyl-2-[3-[2-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-2-oxoethyl]phenyl]propanenitrile;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 160617981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).