(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide

C183H224F3N39O33S4 — CID 160763292

IUPAC(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2C#N)CC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3[nH]ccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3[nH]ccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3ccsc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3ccsc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C26H32N4O4.C25H28F3N3O5.C24H28N6O4.2C24H27N5O4S.C20H28N6O4.2C20H27N5O4S/c1-18(20-8-4-3-5-9-20)29(2)26(34)24(32)23(31)25(33)28-17-19-12-14-30(15-13-19)22-11-7-6-10-21(22)16-27;26-25(27,28)36-20-8-4-3-7-19(20)30-11-9-16(10-12-30)13-29-23(34)21(32)22(33)24(35)31-14-17-5-1-2-6-18(17)15-31;31-19(20(32)24(34)30-12-16-3-1-2-4-17(16)13-30)23(33)26-11-15-6-9-29(10-7-15)22-18-5-8-25-21(18)27-14-28-22;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)23(32)25-11-15-5-8-28(9-6-15)22-21-18(7-10-34-21)26-14-27-22;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21;27-15(16(28)20(30)26-7-1-2-8-26)19(29)22-11-13-4-9-25(10-5-13)18-14-3-6-21-17(14)23-12-24-18;26-15(16(27)20(29)25-6-1-2-7-25)19(28)21-11-13-3-8-24(9-4-13)18-17-14(5-10-30-17)22-12-23-18;26-15(16(27)20(29)25-6-1-2-7-25)18(28)21-11-13-3-8-24(9-4-13)17-14-5-10-30-19(14)23-12-22-17/h3-11,18-19,23-24,31-32H,12-15,17H2,1-2H3,(H,28,33);1-8,16,21-22,32-33H,9-15H2,(H,29,34);1-5,8,14-15,19-20,31-32H,6-7,9-13H2,(H,26,33)(H,25,27,28);2*1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32);3,6,12-13,15-16,27-28H,1-2,4-5,7-11H2,(H,22,29)(H,21,23,24);2*5,10,12-13,15-16,26-27H,1-4,6-9,11H2,(H,21,28)/t18-,23-,24-;21-,22-;3*19-,20-;3*15-,16-/m11111111/s1
InChIKeyRYIXCHCJJWWSKU-KAWDWNCWSA-N
MW3683.31 g/mol
LogP7.52
Rot. Bonds51

About (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide

(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide (PubChem CID 160763292) has the molecular formula C183H224F3N39O33S4 and a molecular weight of 3683.31 g/mol. Its IUPAC name is (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide
PubChem CID160763292
Molecular FormulaC183H224F3N39O33S4
Molecular Weight3683.31 g/mol
Exact Mass3680.59
IUPAC Name(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide
SMILESC[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2C#N)CC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3[nH]ccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3[nH]ccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3ccsc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3ccsc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C26H32N4O4.C25H28F3N3O5.C24H28N6O4.2C24H27N5O4S.C20H28N6O4.2C20H27N5O4S/c1-18(20-8-4-3-5-9-20)29(2)26(34)24(32)23(31)25(33)28-17-19-12-14-30(15-13-19)22-11-7-6-10-21(22)16-27;26-25(27,28)36-20-8-4-3-7-19(20)30-11-9-16(10-12-30)13-29-23(34)21(32)22(33)24(35)31-14-17-5-1-2-6-18(17)15-31;31-19(20(32)24(34)30-12-16-3-1-2-4-17(16)13-30)23(33)26-11-15-6-9-29(10-7-15)22-18-5-8-25-21(18)27-14-28-22;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)23(32)25-11-15-5-8-28(9-6-15)22-21-18(7-10-34-21)26-14-27-22;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21;27-15(16(28)20(30)26-7-1-2-8-26)19(29)22-11-13-4-9-25(10-5-13)18-14-3-6-21-17(14)23-12-24-18;26-15(16(27)20(29)25-6-1-2-7-25)19(28)21-11-13-3-8-24(9-4-13)18-17-14(5-10-30-17)22-12-23-18;26-15(16(27)20(29)25-6-1-2-7-25)18(28)21-11-13-3-8-24(9-4-13)17-14-5-10-30-19(14)23-12-22-17/h3-11,18-19,23-24,31-32H,12-15,17H2,1-2H3,(H,28,33);1-8,16,21-22,32-33H,9-15H2,(H,29,34);1-5,8,14-15,19-20,31-32H,6-7,9-13H2,(H,26,33)(H,25,27,28);2*1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32);3,6,12-13,15-16,27-28H,1-2,4-5,7-11H2,(H,22,29)(H,21,23,24);2*5,10,12-13,15-16,26-27H,1-4,6-9,11H2,(H,21,28)/t18-,23-,24-;21-,22-;3*19-,20-;3*15-,16-/m11111111/s1
InChIKeyRYIXCHCJJWWSKU-KAWDWNCWSA-N
XLogP7.52
TPSA964.16 Ų
H-Bond Donors26
H-Bond Acceptors58
Rotatable Bonds51
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003683.31
LogP ≤ 57.52
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1058

Analyze (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide (CID 160763292) is (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide is C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2C#N)CC1.O=C(NCC1CCN(c2ccccc2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3[nH]ccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3[nH]ccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3ccsc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3ccsc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2ncnc3sccc23)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide?
The InChIKey is RYIXCHCJJWWSKU-KAWDWNCWSA-N. The full InChI is InChI=1S/C26H32N4O4.C25H28F3N3O5.C24H28N6O4.2C24H27N5O4S.C20H28N6O4.2C20H27N5O4S/c1-18(20-8-4-3-5-9-20)29(2)26(34)24(32)23(31)25(33)28-17-19-12-14-30(15-13-19)22-11-7-6-10-21(22)16-27;26-25(27,28)36-20-8-4-3-7-19(20)30-11-9-16(10-12-30)13-29-23(34)21(32)22(33)24(35)31-14-17-5-1-2-6-18(17)15-31;31-19(20(32)24(34)30-12-16-3-1-2-4-17(16)13-30)23(33)26-11-15-6-9-29(10-7-15)22-18-5-8-25-21(18)27-14-28-22;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)23(32)25-11-15-5-8-28(9-6-15)22-21-18(7-10-34-21)26-14-27-22;30-19(20(31)24(33)29-12-16-3-1-2-4-17(16)13-29)22(32)25-11-15-5-8-28(9-6-15)21-18-7-10-34-23(18)27-14-26-21;27-15(16(28)20(30)26-7-1-2-8-26)19(29)22-11-13-4-9-25(10-5-13)18-14-3-6-21-17(14)23-12-24-18;26-15(16(27)20(29)25-6-1-2-7-25)19(28)21-11-13-3-8-24(9-4-13)18-17-14(5-10-30-17)22-12-23-18;26-15(16(27)20(29)25-6-1-2-7-25)18(28)21-11-13-3-8-24(9-4-13)17-14-5-10-30-19(14)23-12-22-17/h3-11,18-19,23-24,31-32H,12-15,17H2,1-2H3,(H,28,33);1-8,16,21-22,32-33H,9-15H2,(H,29,34);1-5,8,14-15,19-20,31-32H,6-7,9-13H2,(H,26,33)(H,25,27,28);2*1-4,7,10,14-15,19-20,30-31H,5-6,8-9,11-13H2,(H,25,32);3,6,12-13,15-16,27-28H,1-2,4-5,7-11H2,(H,22,29)(H,21,23,24);2*5,10,12-13,15-16,26-27H,1-4,6-9,11H2,(H,21,28)/t18-,23-,24-;21-,22-;3*19-,20-;3*15-,16-/m11111111/s1.
What are the key properties of (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide?
(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide has a molecular weight of 3683.31 g/mol, XLogP of 7.52, 51 rotatable bonds, 26 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 160763292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).