(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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C107H101N23O23 — CID 159375415

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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 159375415) has the molecular formula C107H101N23O23 and a molecular weight of 2077.12 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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 159375415
• Molecular Formula: C107H101N23O23
• Molecular Weight: 2077.12 g/mol
• Exact Mass: 2075.74
• 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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: 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.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ncc(C(=NO)N4CCN(c5cnccn5)CC4)cc3OC)CC(=O)NC1=O)C2
• InChI: InChI=1S/C31H30N8O6.C28H31N7O6.C28H23N3O6.C20H17N5O5/c1-44-22-4-3-20-18-39(29(41)23(20)14-22)19-31(15-27(40)35-30(31)42)6-5-24-25(45-2)13-21(16-34-24)28(36-43)38-11-9-37(10-12-38)26-17-32-7-8-33-26;1-4-33-9-11-34(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;1-30-12-3-2-11-9-25(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/h3-4,7-8,13-14,16-17,43H,9-12,15,18-19H2,1-2H3,(H,35,40,42);5-6,13-15,39H,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);2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29)/t31-;2*28-;20-/m1111/s1
• InChIKey: LKGDVOKNZXALOV-FMUJAPKVSA-N
• XLogP: 3.82
• TPSA: 576.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2077.12
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 159375415) 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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is 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.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ncc(C(=NO)N4CCN(c5cnccn5)CC4)cc3OC)CC(=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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The InChIKey is LKGDVOKNZXALOV-FMUJAPKVSA-N. The full InChI is InChI=1S/C31H30N8O6.C28H31N7O6.C28H23N3O6.C20H17N5O5/c1-44-22-4-3-20-18-39(29(41)23(20)14-22)19-31(15-27(40)35-30(31)42)6-5-24-25(45-2)13-21(16-34-24)28(36-43)38-11-9-37(10-12-38)26-17-32-7-8-33-26;1-4-33-9-11-34(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;1-30-12-3-2-11-9-25(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/h3-4,7-8,13-14,16-17,43H,9-12,15,18-19H2,1-2H3,(H,35,40,42);5-6,13-15,39H,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);2-5,8,26H,9-10H2,1H3,(H2,21,22)(H2,23,24,28,29)/t31-;2*28-;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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 2077.12 g/mol, XLogP of 3.82, 20 rotatable bonds, 11 hydrogen bond donors, and 34 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-[2-[5-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]-3-methoxy-2-pyridinyl]ethynyl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159375415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).