(2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide

C240H269N65O44S — CID 157281537

IUPAC(2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide
SMILESC[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2[nH]ncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2c(cnn2C)C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cn[nH]c2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2nc(N)ncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ncccc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ncncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCn2cnnc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2nccnc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1CCc2ncccc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2nccnc2C1)c1ccc(-n2cccn2)cc1.Cc1nc2c(s1)CN(C(=O)[C@H](O)[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C24H27N5O4.C23H25N5O4.C22H25N7O4.C22H26N6O4.2C22H24N6O4.C22H25N5O4S.2C21H24N6O4.C21H22N6O4.C20H23N7O4/c1-16(17-6-8-19(9-7-17)29-13-4-12-26-29)27-23(32)24(2,33)21(30)22(31)28-14-10-20-18(15-28)5-3-11-25-20;1-15(16-5-7-18(8-6-16)28-12-3-11-25-28)26-22(31)20(29)21(30)23(32)27-13-9-19-17(14-27)4-2-10-24-19;1-13(14-3-5-16(6-4-14)29-9-2-8-25-29)26-20(32)18(30)19(31)21(33)28-10-7-17-15(12-28)11-24-22(23)27-17;1-14(15-4-6-17(7-5-15)28-10-3-9-23-28)25-21(31)19(29)20(30)22(32)27-11-8-18-16(13-27)12-24-26(18)2;1-14(15-4-6-16(7-5-15)28-11-3-8-25-28)26-21(31)22(2,32)19(29)20(30)27-12-17-18(13-27)24-10-9-23-17;1-14(15-3-5-17(6-4-15)28-9-2-8-25-28)26-21(31)19(29)20(30)22(32)27-10-7-18-16(12-27)11-23-13-24-18;1-13(15-5-7-16(8-6-15)27-10-4-9-23-27)24-21(30)22(3,31)19(28)20(29)26-11-17-18(12-26)32-14(2)25-17;1-13(14-3-5-16(6-4-14)27-9-2-8-23-27)24-20(30)18(28)19(29)21(31)26-10-7-17-15(12-26)11-22-25-17;1-13(14-3-5-16(6-4-14)27-9-2-8-23-27)24-20(30)18(28)19(29)21(31)26-10-7-15-11-22-25-17(15)12-26;1-13(14-3-5-15(6-4-14)27-10-2-7-24-27)25-20(30)18(28)19(29)21(31)26-11-16-17(12-26)23-9-8-22-16;1-13(14-3-5-15(6-4-14)27-8-2-7-22-27)23-19(30)17(28)18(29)20(31)25-9-10-26-12-21-24-16(26)11-25/h3-9,11-13,16,21,30,33H,10,14-15H2,1-2H3,(H,27,32);2-8,10-12,15,20-21,29-30H,9,13-14H2,1H3,(H,26,31);2-6,8-9,11,13,18-19,30-31H,7,10,12H2,1H3,(H,26,32)(H2,23,24,27);3-7,9-10,12,14,19-20,29-30H,8,11,13H2,1-2H3,(H,25,31);3-11,14,19,29,32H,12-13H2,1-2H3,(H,26,31);2-6,8-9,11,13-14,19-20,29-30H,7,10,12H2,1H3,(H,26,31);4-10,13,19,28,31H,11-12H2,1-3H3,(H,24,30);2*2-6,8-9,11,13,18-19,28-29H,7,10,12H2,1H3,(H,22,25)(H,24,30);2-10,13,18-19,28-29H,11-12H2,1H3,(H,25,30);2-8,12-13,17-18,28-29H,9-11H2,1H3,(H,23,30)/t16-,21+,24-;15-,20-,21-;13-,18-,19-;14-,19-,20-;14-,19+,22-;14-,19-,20-;13-,19+,22-;3*13-,18-,19-;13-,17-,18-/m11111111111/s1
InChIKeyAZSLNNGCJRVMLC-OQGJIAISSA-N
MW4800.27 g/mol
LogP3.49
Rot. Bonds66

About (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide

(2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide (PubChem CID 157281537) has the molecular formula C240H269N65O44S and a molecular weight of 4800.27 g/mol. Its IUPAC name is (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name(2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide
PubChem CID157281537
Molecular FormulaC240H269N65O44S
Molecular Weight4800.27 g/mol
Exact Mass4797.05
IUPAC Name(2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide
SMILESC[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2[nH]ncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2c(cnn2C)C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cn[nH]c2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2nc(N)ncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ncccc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ncncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCn2cnnc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2nccnc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1CCc2ncccc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2nccnc2C1)c1ccc(-n2cccn2)cc1.Cc1nc2c(s1)CN(C(=O)[C@H](O)[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C24H27N5O4.C23H25N5O4.C22H25N7O4.C22H26N6O4.2C22H24N6O4.C22H25N5O4S.2C21H24N6O4.C21H22N6O4.C20H23N7O4/c1-16(17-6-8-19(9-7-17)29-13-4-12-26-29)27-23(32)24(2,33)21(30)22(31)28-14-10-20-18(15-28)5-3-11-25-20;1-15(16-5-7-18(8-6-16)28-12-3-11-25-28)26-22(31)20(29)21(30)23(32)27-13-9-19-17(14-27)4-2-10-24-19;1-13(14-3-5-16(6-4-14)29-9-2-8-25-29)26-20(32)18(30)19(31)21(33)28-10-7-17-15(12-28)11-24-22(23)27-17;1-14(15-4-6-17(7-5-15)28-10-3-9-23-28)25-21(31)19(29)20(30)22(32)27-11-8-18-16(13-27)12-24-26(18)2;1-14(15-4-6-16(7-5-15)28-11-3-8-25-28)26-21(31)22(2,32)19(29)20(30)27-12-17-18(13-27)24-10-9-23-17;1-14(15-3-5-17(6-4-15)28-9-2-8-25-28)26-21(31)19(29)20(30)22(32)27-10-7-18-16(12-27)11-23-13-24-18;1-13(15-5-7-16(8-6-15)27-10-4-9-23-27)24-21(30)22(3,31)19(28)20(29)26-11-17-18(12-26)32-14(2)25-17;1-13(14-3-5-16(6-4-14)27-9-2-8-23-27)24-20(30)18(28)19(29)21(31)26-10-7-17-15(12-26)11-22-25-17;1-13(14-3-5-16(6-4-14)27-9-2-8-23-27)24-20(30)18(28)19(29)21(31)26-10-7-15-11-22-25-17(15)12-26;1-13(14-3-5-15(6-4-14)27-10-2-7-24-27)25-20(30)18(28)19(29)21(31)26-11-16-17(12-26)23-9-8-22-16;1-13(14-3-5-15(6-4-14)27-8-2-7-22-27)23-19(30)17(28)18(29)20(31)25-9-10-26-12-21-24-16(26)11-25/h3-9,11-13,16,21,30,33H,10,14-15H2,1-2H3,(H,27,32);2-8,10-12,15,20-21,29-30H,9,13-14H2,1H3,(H,26,31);2-6,8-9,11,13,18-19,30-31H,7,10,12H2,1H3,(H,26,32)(H2,23,24,27);3-7,9-10,12,14,19-20,29-30H,8,11,13H2,1-2H3,(H,25,31);3-11,14,19,29,32H,12-13H2,1-2H3,(H,26,31);2-6,8-9,11,13-14,19-20,29-30H,7,10,12H2,1H3,(H,26,31);4-10,13,19,28,31H,11-12H2,1-3H3,(H,24,30);2*2-6,8-9,11,13,18-19,28-29H,7,10,12H2,1H3,(H,22,25)(H,24,30);2-10,13,18-19,28-29H,11-12H2,1H3,(H,25,30);2-8,12-13,17-18,28-29H,9-11H2,1H3,(H,23,30)/t16-,21+,24-;15-,20-,21-;13-,18-,19-;14-,19-,20-;14-,19+,22-;14-,19-,20-;13-,19+,22-;3*13-,18-,19-;13-,17-,18-/m11111111111/s1
InChIKeyAZSLNNGCJRVMLC-OQGJIAISSA-N
XLogP3.49
TPSA1458.29 Ų
H-Bond Donors36
H-Bond Acceptors86
Rotatable Bonds66
Heavy Atoms350
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004800.27
LogP ≤ 53.49
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1086

Analyze (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2,3-dihydroxy-4-[2-(methylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 59365210
N-[1-[4-(2-cyanopyrrol-1-yl)phenyl]ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxobutanamide
CID 58922995
(4R,5R)-5-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-2,2-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-1,3-dioxolane-4-carboxamide;(2R,3R)-2,3-dihydroxy-4-(1-oxido-5,7-dihydropyrrolo[3,4-b]pyridin-1-ium-6-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(4R,5R)-2,2-dimethyl-5-(1-oxido-5,7-dihydropyrrolo[3,4-b]pyridin-1-ium-6-carbonyl)-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-1,3-dioxolane-4-carboxamide;methane
CID 158994859
(2R,3R)-N-[(1R)-1-(3-butoxy-4-pyrazol-1-ylphenyl)ethyl]-4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,3-dihydroxy-4-oxobutanamide
CID 67579131
(2R,3R)-4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 70329293
(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(6,8-dihydro-5H-1,7-naphthyridin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)butanamide
CID 160959462
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[1-[4-(4-hydroxyphenyl)phenyl]ethyl]-4-oxobutanamide
CID 23584992
(3R)-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydroxy-N-methyl-N'-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanediamide
CID 71188262
(2R,3R)-2,3-dihydroxy-4-[(1S,3R,5S)-3-[2-(methylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 54584805
(2R,3R)-2,3-dihydroxy-4-oxo-4-[(3R,5R)-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 89112078
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
(2R,3R)-2,3-dihydroxy-4-[(2R)-2-(2-methyl-3,4-dihydropyrazol-5-yl)pyrrolidin-1-yl]-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 70931085

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide?
The IUPAC name of (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide (CID 157281537) is (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide.
What is the SMILES notation for (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide?
The canonical SMILES for (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide is C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2[nH]ncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2c(cnn2C)C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2cn[nH]c2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2nc(N)ncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ncccc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCc2ncncc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCn2cnnc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2nccnc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1CCc2ncccc2C1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@](C)(O)[C@@H](O)C(=O)N1Cc2nccnc2C1)c1ccc(-n2cccn2)cc1.Cc1nc2c(s1)CN(C(=O)[C@H](O)[C@@](C)(O)C(=O)N[C@H](C)c1ccc(-n3cccn3)cc1)C2.
What is the InChIKey of (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide?
The InChIKey is AZSLNNGCJRVMLC-OQGJIAISSA-N. The full InChI is InChI=1S/C24H27N5O4.C23H25N5O4.C22H25N7O4.C22H26N6O4.2C22H24N6O4.C22H25N5O4S.2C21H24N6O4.C21H22N6O4.C20H23N7O4/c1-16(17-6-8-19(9-7-17)29-13-4-12-26-29)27-23(32)24(2,33)21(30)22(31)28-14-10-20-18(15-28)5-3-11-25-20;1-15(16-5-7-18(8-6-16)28-12-3-11-25-28)26-22(31)20(29)21(30)23(32)27-13-9-19-17(14-27)4-2-10-24-19;1-13(14-3-5-16(6-4-14)29-9-2-8-25-29)26-20(32)18(30)19(31)21(33)28-10-7-17-15(12-28)11-24-22(23)27-17;1-14(15-4-6-17(7-5-15)28-10-3-9-23-28)25-21(31)19(29)20(30)22(32)27-11-8-18-16(13-27)12-24-26(18)2;1-14(15-4-6-16(7-5-15)28-11-3-8-25-28)26-21(31)22(2,32)19(29)20(30)27-12-17-18(13-27)24-10-9-23-17;1-14(15-3-5-17(6-4-15)28-9-2-8-25-28)26-21(31)19(29)20(30)22(32)27-10-7-18-16(12-27)11-23-13-24-18;1-13(15-5-7-16(8-6-15)27-10-4-9-23-27)24-21(30)22(3,31)19(28)20(29)26-11-17-18(12-26)32-14(2)25-17;1-13(14-3-5-16(6-4-14)27-9-2-8-23-27)24-20(30)18(28)19(29)21(31)26-10-7-17-15(12-26)11-22-25-17;1-13(14-3-5-16(6-4-14)27-9-2-8-23-27)24-20(30)18(28)19(29)21(31)26-10-7-15-11-22-25-17(15)12-26;1-13(14-3-5-15(6-4-14)27-10-2-7-24-27)25-20(30)18(28)19(29)21(31)26-11-16-17(12-26)23-9-8-22-16;1-13(14-3-5-15(6-4-14)27-8-2-7-22-27)23-19(30)17(28)18(29)20(31)25-9-10-26-12-21-24-16(26)11-25/h3-9,11-13,16,21,30,33H,10,14-15H2,1-2H3,(H,27,32);2-8,10-12,15,20-21,29-30H,9,13-14H2,1H3,(H,26,31);2-6,8-9,11,13,18-19,30-31H,7,10,12H2,1H3,(H,26,32)(H2,23,24,27);3-7,9-10,12,14,19-20,29-30H,8,11,13H2,1-2H3,(H,25,31);3-11,14,19,29,32H,12-13H2,1-2H3,(H,26,31);2-6,8-9,11,13-14,19-20,29-30H,7,10,12H2,1H3,(H,26,31);4-10,13,19,28,31H,11-12H2,1-3H3,(H,24,30);2*2-6,8-9,11,13,18-19,28-29H,7,10,12H2,1H3,(H,22,25)(H,24,30);2-10,13,18-19,28-29H,11-12H2,1H3,(H,25,30);2-8,12-13,17-18,28-29H,9-11H2,1H3,(H,23,30)/t16-,21+,24-;15-,20-,21-;13-,18-,19-;14-,19-,20-;14-,19+,22-;14-,19-,20-;13-,19+,22-;3*13-,18-,19-;13-,17-,18-/m11111111111/s1.
What are the key properties of (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide?
(2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide has a molecular weight of 4800.27 g/mol, XLogP of 3.49, 66 rotatable bonds, 36 hydrogen bond donors, and 86 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-2-methyl-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-2-methyl-4-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butanamide is sourced from PubChem (CID 157281537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).