(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C105H107FN18O18 — CID 158962880

About (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 158962880) has the molecular formula C105H107FN18O18 and a molecular weight of 1928.12 g/mol. Its IUPAC name is (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
• PubChem CID: 158962880
• Molecular Formula: C105H107FN18O18
• Molecular Weight: 1928.12 g/mol
• Exact Mass: 1926.80
• IUPAC Name: (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4CCN(C)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC4CCN(C)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H29N5O4.C26H25FN4O5.C26H27N5O4.C26H26N4O5/c1-31-11-8-18(9-12-31)13-21-5-3-19(15-28-21)7-10-27(25(34)29-26(35)30-27)17-32-16-20-4-6-22(36-2)14-23(20)24(32)33;1-36-19-7-4-17-14-31(22(32)20(17)21(19)27)15-25(23(33)29-24(34)30-25)9-8-16-2-5-18(6-3-16)26(35)10-12-28-13-11-26;1-30-11-8-18(9-12-30)22-6-3-17(14-27-22)7-10-26(24(33)28-25(34)29-26)16-31-15-19-4-5-20(35-2)13-21(19)23(31)32;1-35-20-7-4-18-15-30(22(31)21(18)14-20)16-25(23(32)28-24(33)29-25)9-8-17-2-5-19(6-3-17)26(34)10-12-27-13-11-26/h3-6,14-15,18H,8-9,11-13,16-17H2,1-2H3,(H2,29,30,34,35);2-7,28,35H,10-15H2,1H3,(H2,29,30,33,34);3-6,13-14,18H,8-9,11-12,15-16H2,1-2H3,(H2,28,29,33,34);2-7,14,27,34H,10-13,15-16H2,1H3,(H2,28,29,32,33)/t27-;25-;26-;25-/m1111/s1
• InChIKey: JMVMVEHRPFGTQT-ZFWAAFSOSA-N
• XLogP: 4.89
• TPSA: 447.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1928.12
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 158962880) is (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C4CCN(C)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC4CCN(C)CC4)nc3)NC(=O)NC1=O)C2.COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C4(O)CCNCC4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

The InChIKey is JMVMVEHRPFGTQT-ZFWAAFSOSA-N. The full InChI is InChI=1S/C27H29N5O4.C26H25FN4O5.C26H27N5O4.C26H26N4O5/c1-31-11-8-18(9-12-31)13-21-5-3-19(15-28-21)7-10-27(25(34)29-26(35)30-27)17-32-16-20-4-6-22(36-2)14-23(20)24(32)33;1-36-19-7-4-17-14-31(22(32)20(17)21(19)27)15-25(23(33)29-24(34)30-25)9-8-16-2-5-18(6-3-16)26(35)10-12-28-13-11-26;1-30-11-8-18(9-12-30)22-6-3-17(14-27-22)7-10-26(24(33)28-25(34)29-26)16-31-15-19-4-5-20(35-2)13-21(19)23(31)32;1-35-20-7-4-18-15-30(22(31)21(18)14-20)16-25(23(32)28-24(33)29-25)9-8-17-2-5-19(6-3-17)26(34)10-12-27-13-11-26/h3-6,14-15,18H,8-9,11-13,16-17H2,1-2H3,(H2,29,30,34,35);2-7,28,35H,10-15H2,1H3,(H2,29,30,33,34);3-6,13-14,18H,8-9,11-12,15-16H2,1-2H3,(H2,28,29,33,34);2-7,14,27,34H,10-13,15-16H2,1H3,(H2,28,29,32,33)/t27-;25-;26-;25-/m1111/s1.

What are the key properties of (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?

(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 1928.12 g/mol, XLogP of 4.89, 17 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[2-[4-(4-hydroxypiperidin-4-yl)phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpiperidin-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158962880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).