(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione

C103H95N19O22 — CID 159083094

About (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione

(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione (PubChem CID 159083094) has the molecular formula C103H95N19O22 and a molecular weight of 1951.00 g/mol. Its IUPAC name is (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione
• PubChem CID: 159083094
• Molecular Formula: C103H95N19O22
• Molecular Weight: 1951.00 g/mol
• Exact Mass: 1949.69
• IUPAC Name: (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione
• SMILES: CCCc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2)o1.CCN1CCN(C(=NO)c2cnc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)c(OC)c2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cccc(O)c4)ccc3OC)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N)ccc3O)NC(=O)NC1=O)C2
• InChI: InChI=1S/C28H31N7O6.C28H23N3O6.C27H24N4O5.C20H17N5O5/c1-4-33-9-11-34(12-10-33)24(32-39)19-13-23(41-3)22(29-15-19)7-8-28(26(37)30-27(38)31-28)17-35-16-18-5-6-20(40-2)14-21(18)25(35)36;1-36-20-7-6-18-15-31(26(34)21(18)13-20)16-28(14-25(33)30-27(28)35)11-10-23-24(37-2)9-8-22(29-23)17-4-3-5-19(32)12-17;1-3-4-23-29-30-24(36-23)18-7-5-17(6-8-18)11-12-27(14-22(32)28-26(27)34)16-31-15-19-9-10-20(35-2)13-21(19)25(31)33;1-30-12-3-2-11-9-25(17(27)13(11)8-12)10-20(18(28)23-19(29)24-20)7-6-14-15(26)4-5-16(21)22-14/h5-6,13-15,39H,4,9-12,16-17H2,1-3H3,(H2,30,31,37,38);3-9,12-13,32H,14-16H2,1-2H3,(H,30,33,35);5-10,13H,3-4,14-16H2,1-2H3,(H,28,32,34);2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29)/t2*28-;27-;20-/m1111/s1
• InChIKey: KBCJJBXZNASRLX-CMEMYMNCSA-N
• XLogP: 5.67
• TPSA: 528.50 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1951.00
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

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-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione?

The IUPAC name of (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione (CID 159083094) is (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione.

What is the SMILES notation for (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione?

The canonical SMILES for (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione is CCCc1nnc(-c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)cc2)o1.CCN1CCN(C(=NO)c2cnc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)c(OC)c2)CC1.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(-c4cccc(O)c4)ccc3OC)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N)ccc3O)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione?

The InChIKey is KBCJJBXZNASRLX-CMEMYMNCSA-N. The full InChI is InChI=1S/C28H31N7O6.C28H23N3O6.C27H24N4O5.C20H17N5O5/c1-4-33-9-11-34(12-10-33)24(32-39)19-13-23(41-3)22(29-15-19)7-8-28(26(37)30-27(38)31-28)17-35-16-18-5-6-20(40-2)14-21(18)25(35)36;1-36-20-7-6-18-15-31(26(34)21(18)13-20)16-28(14-25(33)30-27(28)35)11-10-23-24(37-2)9-8-22(29-23)17-4-3-5-19(32)12-17;1-3-4-23-29-30-24(36-23)18-7-5-17(6-8-18)11-12-27(14-22(32)28-26(27)34)16-31-15-19-9-10-20(35-2)13-21(19)25(31)33;1-30-12-3-2-11-9-25(17(27)13(11)8-12)10-20(18(28)23-19(29)24-20)7-6-14-15(26)4-5-16(21)22-14/h5-6,13-15,39H,4,9-12,16-17H2,1-3H3,(H2,30,31,37,38);3-9,12-13,32H,14-16H2,1-2H3,(H,30,33,35);5-10,13H,3-4,14-16H2,1-2H3,(H,28,32,34);2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29)/t2*28-;27-;20-/m1111/s1.

What are the key properties of (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione?

(5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione has a molecular weight of 1951.00 g/mol, XLogP of 5.67, 20 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[2-(6-amino-3-hydroxy-2-pyridinyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-[5-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(3S)-3-[2-[6-(3-hydroxyphenyl)-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-3-[2-[4-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]ethynyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159083094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).