(5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione

C114H106N20O21 — CID 157476105

About (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 157476105) has the molecular formula C114H106N20O21 and a molecular weight of 2092.22 g/mol. Its IUPAC name is (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 157476105
• Molecular Formula: C114H106N20O21
• Molecular Weight: 2092.22 g/mol
• Exact Mass: 2090.78
• IUPAC Name: (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4O)cc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=NO)N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=NO)N4CCCC[C@@H]4C)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC(=O)C4CCN(C)CC4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C32H24N4O5.C29H30N4O5.C27H28N6O5.C26H24N6O6/c1-41-24-9-8-23-18-36(30(39)25(23)15-24)19-32(16-28(38)35-31(32)40)13-12-20-4-6-21(7-5-20)29-27(37)11-10-26(34-29)22-3-2-14-33-17-22;1-32-13-10-21(11-14-32)25(34)15-20-5-3-19(4-6-20)9-12-29(27(36)30-28(37)31-29)18-33-17-22-7-8-23(38-2)16-24(22)26(33)35;1-17-5-3-4-12-33(17)23(31-37)22-9-6-18(14-28-22)10-11-27(25(35)29-26(36)30-27)16-32-15-19-7-8-20(38-2)13-21(19)24(32)34;1-38-19-4-3-17-14-32(23(34)20(17)12-19)15-26(24(35)28-25(36)29-26)9-6-16-2-5-21(27-13-16)22(30-37)31-10-7-18(33)8-11-31/h2-11,14-15,17,37H,16,18-19H2,1H3,(H,35,38,40);3-8,16,21H,10-11,13-15,17-18H2,1-2H3,(H2,30,31,36,37);6-9,13-14,17,37H,3-5,12,15-16H2,1-2H3,(H2,29,30,35,36);2-5,12-13,37H,7-8,10-11,14-15H2,1H3,(H2,28,29,35,36)/t32-;29-;17-,27+;26-/m1101/s1
• InChIKey: BVPMGMWDUGJFDK-PPLBPEKISA-N
• XLogP: 7.46
• TPSA: 519.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.22
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione (CID 157476105) is (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cccnc5)ccc4O)cc3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=NO)N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(=NO)N4CCCC[C@@H]4C)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC(=O)C4CCN(C)CC4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is BVPMGMWDUGJFDK-PPLBPEKISA-N. The full InChI is InChI=1S/C32H24N4O5.C29H30N4O5.C27H28N6O5.C26H24N6O6/c1-41-24-9-8-23-18-36(30(39)25(23)15-24)19-32(16-28(38)35-31(32)40)13-12-20-4-6-21(7-5-20)29-27(37)11-10-26(34-29)22-3-2-14-33-17-22;1-32-13-10-21(11-14-32)25(34)15-20-5-3-19(4-6-20)9-12-29(27(36)30-28(37)31-29)18-33-17-22-7-8-23(38-2)16-24(22)26(33)35;1-17-5-3-4-12-33(17)23(31-37)22-9-6-18(14-28-22)10-11-27(25(35)29-26(36)30-27)16-32-15-19-7-8-20(38-2)13-21(19)24(32)34;1-38-19-4-3-17-14-32(23(34)20(17)12-19)15-26(24(35)28-25(36)29-26)9-6-16-2-5-21(27-13-16)22(30-37)31-10-7-18(33)8-11-31/h2-11,14-15,17,37H,16,18-19H2,1H3,(H,35,38,40);3-8,16,21H,10-11,13-15,17-18H2,1-2H3,(H2,30,31,36,37);6-9,13-14,17,37H,3-5,12,15-16H2,1-2H3,(H2,29,30,35,36);2-5,12-13,37H,7-8,10-11,14-15H2,1H3,(H2,28,29,35,36)/t32-;29-;17-,27+;26-/m1101/s1.

What are the key properties of (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 2092.22 g/mol, XLogP of 7.46, 19 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-[6-[N-hydroxy-C-[(2S)-2-methylpiperidin-1-yl]carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[6-[N-hydroxy-C-(4-oxopiperidin-1-yl)carbonimidoyl]-3-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[4-(3-hydroxy-6-pyridin-3-yl-2-pyridinyl)phenyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[2-(1-methylpiperidin-4-yl)-2-oxoethyl]phenyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 157476105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).