(2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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

C204H259FN46O36S4 — CID 158483582

About (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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 158483582) has the molecular formula C204H259FN46O36S4 and a molecular weight of 4078.87 g/mol. Its IUPAC name is (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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: 158483582
• Molecular Formula: C204H259FN46O36S4
• Molecular Weight: 4078.87 g/mol
• Exact Mass: 4075.87
• IUPAC Name: (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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
• SMILES: C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2C#N)CC1.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CC[C@H](N)C2)CC1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC3(CCNCC3)C2)CC1.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
• InChI: InChI=1S/C26H32N4O4.C25H35N5O4.C24H28N6O4.2C24H27N5O4S.C21H28FN5O4.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;26-15-19-3-1-2-4-20(19)29-12-5-18(6-13-29)16-28-23(33)21(31)22(32)24(34)30-14-9-25(17-30)7-10-27-11-8-25;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;22-15-1-2-17(14(9-15)10-23)26-6-3-13(4-7-26)11-25-20(30)18(28)19(29)21(31)27-8-5-16(24)12-27;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);1-4,18,21-22,27,31-32H,5-14,16-17H2,(H,28,33);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);1-2,9,13,16,18-19,28-29H,3-8,11-12,24H2,(H,25,30);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-;16-,18+,19+;3*15-,16-/m111110111/s1
• InChIKey: HHUWRHXNTADFLU-VTXJDUFKSA-N
• XLogP: 4.86
• TPSA: 1133.67 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 66
• Rotatable Bonds: 56
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4078.87
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	66

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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 158483582) is (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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.N#Cc1cc(F)ccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CC[C@H](N)C2)CC1.N#Cc1ccccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC3(CCNCC3)C2)CC1.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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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 HHUWRHXNTADFLU-VTXJDUFKSA-N. The full InChI is InChI=1S/C26H32N4O4.C25H35N5O4.C24H28N6O4.2C24H27N5O4S.C21H28FN5O4.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;26-15-19-3-1-2-4-20(19)29-12-5-18(6-13-29)16-28-23(33)21(31)22(32)24(34)30-14-9-25(17-30)7-10-27-11-8-25;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;22-15-1-2-17(14(9-15)10-23)26-6-3-13(4-7-26)11-25-20(30)18(28)19(29)21(31)27-8-5-16(24)12-27;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);1-4,18,21-22,27,31-32H,5-14,16-17H2,(H,28,33);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);1-2,9,13,16,18-19,28-29H,3-8,11-12,24H2,(H,25,30);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-;16-,18+,19+;3*15-,16-/m111110111/s1.

What are the key properties of (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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 4078.87 g/mol, XLogP of 4.86, 56 rotatable bonds, 31 hydrogen bond donors, and 66 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-4-[(3S)-3-aminopyrrolidin-1-yl]-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[1-(2-cyanophenyl)piperidin-4-yl]methyl]-4-(2,8-diazaspiro[4.5]decan-2-yl)-2,3-dihydroxy-4-oxobutanamide;(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)-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 158483582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).