2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

C136H167F3N26O18 — CID 161379577

IUPAC2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ncn2)CC1.Cc1nc(CC2COC2)cc(C(=O)NC[C@H](O)CN2Cc3ccccc3C2)n1.O=C(CCC1=Nc2ccccc2C1)NCC(O)CN1Cc2ccccc2C1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(CC2COC2)nc(C(F)(F)F)n1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(NC2COC2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H32N4O3.C24H31N5O3.C23H30N6O4.C22H25N3O2.C21H23F3N4O3.C21H26N4O3/c1-18(30)29-10-7-19(8-11-29)12-23-13-20(6-9-26-23)25(32)27-14-24(31)17-28-15-21-4-2-3-5-22(21)16-28;1-17(30)29-8-6-18(7-9-29)10-21-11-23(27-16-26-21)24(32)25-12-22(31)15-28-13-19-4-2-3-5-20(19)14-28;30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29;26-20(15-25-13-17-6-1-2-7-18(17)14-25)12-23-22(27)10-9-19-11-16-5-3-4-8-21(16)24-19;22-21(23,24)20-26-16(5-13-11-31-12-13)6-18(27-20)19(30)25-7-17(29)10-28-8-14-3-1-2-4-15(14)9-28;1-14-23-18(6-15-12-28-13-15)7-20(24-14)21(27)22-8-19(26)11-25-9-16-4-2-3-5-17(16)10-25/h2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-5,11,16,18,22,31H,6-10,12-15H2,1H3,(H,25,32);1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(H,25,26,27);1-8,20,26H,9-15H2,(H,23,27);1-4,6,13,17,29H,5,7-12H2,(H,25,30);2-5,7,15,19,26H,6,8-13H2,1H3,(H,22,27)/t24-;22-;19-;;17-;19-/m000.00/s1
InChIKeyVRNUTXMIXYCMER-OJZCWHQJSA-N
MW2510.99 g/mol
LogP9.06
Rot. Bonds43

About 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide

2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 161379577) has the molecular formula C136H167F3N26O18 and a molecular weight of 2510.99 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID161379577
Molecular FormulaC136H167F3N26O18
Molecular Weight2510.99 g/mol
Exact Mass2509.29
IUPAC Name2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ncn2)CC1.Cc1nc(CC2COC2)cc(C(=O)NC[C@H](O)CN2Cc3ccccc3C2)n1.O=C(CCC1=Nc2ccccc2C1)NCC(O)CN1Cc2ccccc2C1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(CC2COC2)nc(C(F)(F)F)n1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(NC2COC2)nc(N2CCOCC2)n1
InChIInChI=1S/C25H32N4O3.C24H31N5O3.C23H30N6O4.C22H25N3O2.C21H23F3N4O3.C21H26N4O3/c1-18(30)29-10-7-19(8-11-29)12-23-13-20(6-9-26-23)25(32)27-14-24(31)17-28-15-21-4-2-3-5-22(21)16-28;1-17(30)29-8-6-18(7-9-29)10-21-11-23(27-16-26-21)24(32)25-12-22(31)15-28-13-19-4-2-3-5-20(19)14-28;30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29;26-20(15-25-13-17-6-1-2-7-18(17)14-25)12-23-22(27)10-9-19-11-16-5-3-4-8-21(16)24-19;22-21(23,24)20-26-16(5-13-11-31-12-13)6-18(27-20)19(30)25-7-17(29)10-28-8-14-3-1-2-4-15(14)9-28;1-14-23-18(6-15-12-28-13-15)7-20(24-14)21(27)22-8-19(26)11-25-9-16-4-2-3-5-17(16)10-25/h2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-5,11,16,18,22,31H,6-10,12-15H2,1H3,(H,25,32);1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(H,25,26,27);1-8,20,26H,9-15H2,(H,23,27);1-4,6,13,17,29H,5,7-12H2,(H,25,30);2-5,7,15,19,26H,6,8-13H2,1H3,(H,22,27)/t24-;22-;19-;;17-;19-/m000.00/s1
InChIKeyVRNUTXMIXYCMER-OJZCWHQJSA-N
XLogP9.06
TPSA536.60 Ų
H-Bond Donors13
H-Bond Acceptors36
Rotatable Bonds43
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002510.99
LogP ≤ 59.06
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1036

Analyze 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-hydroxyethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;(4R)-4-[5-(3-acetyl-4-fluorophenyl)-2-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]-5-(3,5-difluorophenyl)-1-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-one;5-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]-2-fluorobenzamide;6-[4-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[4,4,7,7-tetrafluoro-3-(trifluoromethyl)-5,6-dihydroindazol-1-yl]pentan-2-yl]-2-(1,2,4-triazol-1-yl)pyrimidin-5-yl]-2,3-dihydroisoindol-1-one;methane
CID 157365872
(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid;(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[5-[methyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 157575443
4-(azetidin-1-yl)-2-methyl-5-propan-2-ylpyrimidine;2-(4-cyclopropyltriazol-1-yl)-5-propan-2-ylpyrimidine;2,4-dimethyl-5-propan-2-ylpyrimidine;2-[(2-methyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide;2-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-isoindol-1-one;2-phenyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(4-propan-2-yltriazol-1-yl)pyrimidine;4-(5-propan-2-ylpyrimidin-2-yl)benzamide;N-(5-propan-2-ylpyrimidin-2-yl)benzamide;4-(5-propan-2-ylpyrimidin-2-yl)-2,3-dihydroisoindol-1-one;4-[(5-propan-2-ylpyrimidin-2-yl)methyl]morpholine;5-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]pyrimidine
CID 157609506
6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-piperazin-1-ylpyrimidine-4-carboxamide;6-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;2-[[1-(cyclobutanecarbonyl)piperidin-4-yl]methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-ethyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[(1-propanoylpiperidin-4-yl)methyl]pyridine-4-carboxamide
CID 157716923
CID 157821032
CID 157821032
6-[(1-acetylazetidin-3-yl)methyl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-propan-2-ylpyrimidine-4-carboxamide;6-(azetidin-3-ylmethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[ethyl(methyl)amino]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-methoxyethyl(methyl)amino]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl(propyl)amino]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 157832596
2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[(3S)-3-(trifluoromethyl)morpholin-4-yl]benzamide;2,6-difluoro-N-[(2S)-1-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]-3-oxobutan-2-yl]-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]benzamide;methyl (2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoate
CID 158206586
CID 158294853
CID 158294853
3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-fluoropyrimidin-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylpyrazin-2-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
CID 158336188
CID 158378099
CID 158378099
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2R)-2-carboxy-3-[5-[ethyl(pyridine-4-carbonyl)amino]pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[5-[ethyl(1-pyridin-4-ylethenyl)amino]pyrimidin-4-yl]propanoic acid;(2R)-2-[[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2R)-2-carboxy-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-ethylpyrimidin-4-yl]propanoic acid
CID 158519134

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 161379577) is 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ccn2)CC1.CC(=O)N1CCC(Cc2cc(C(=O)NC[C@H](O)CN3Cc4ccccc4C3)ncn2)CC1.Cc1nc(CC2COC2)cc(C(=O)NC[C@H](O)CN2Cc3ccccc3C2)n1.O=C(CCC1=Nc2ccccc2C1)NCC(O)CN1Cc2ccccc2C1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(CC2COC2)nc(C(F)(F)F)n1.O=C(NC[C@H](O)CN1Cc2ccccc2C1)c1cc(NC2COC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is VRNUTXMIXYCMER-OJZCWHQJSA-N. The full InChI is InChI=1S/C25H32N4O3.C24H31N5O3.C23H30N6O4.C22H25N3O2.C21H23F3N4O3.C21H26N4O3/c1-18(30)29-10-7-19(8-11-29)12-23-13-20(6-9-26-23)25(32)27-14-24(31)17-28-15-21-4-2-3-5-22(21)16-28;1-17(30)29-8-6-18(7-9-29)10-21-11-23(27-16-26-21)24(32)25-12-22(31)15-28-13-19-4-2-3-5-20(19)14-28;30-19(13-28-11-16-3-1-2-4-17(16)12-28)10-24-22(31)20-9-21(25-18-14-33-15-18)27-23(26-20)29-5-7-32-8-6-29;26-20(15-25-13-17-6-1-2-7-18(17)14-25)12-23-22(27)10-9-19-11-16-5-3-4-8-21(16)24-19;22-21(23,24)20-26-16(5-13-11-31-12-13)6-18(27-20)19(30)25-7-17(29)10-28-8-14-3-1-2-4-15(14)9-28;1-14-23-18(6-15-12-28-13-15)7-20(24-14)21(27)22-8-19(26)11-25-9-16-4-2-3-5-17(16)10-25/h2-6,9,13,19,24,31H,7-8,10-12,14-17H2,1H3,(H,27,32);2-5,11,16,18,22,31H,6-10,12-15H2,1H3,(H,25,32);1-4,9,18-19,30H,5-8,10-15H2,(H,24,31)(H,25,26,27);1-8,20,26H,9-15H2,(H,23,27);1-4,6,13,17,29H,5,7-12H2,(H,25,30);2-5,7,15,19,26H,6,8-13H2,1H3,(H,22,27)/t24-;22-;19-;;17-;19-/m000.00/s1.
What are the key properties of 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide?
2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 2510.99 g/mol, XLogP of 9.06, 43 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide;6-[(1-acetylpiperidin-4-yl)methyl]-N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-3-(3H-indol-2-yl)propanamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-methyl-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-morpholin-4-yl-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 161379577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).