(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C25H23N5O5 — CID 58042057

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H23N5O5/c1-35-19-4-3-17-14-30(22(32)20(17)12-19)15-25(23(33)27-24(34)28-25)9-6-16-2-5-21(26-13-16)29-10-7-18(31)8-11-29/h2-5,12-13H,7-8,10-11,14-15H2,1H3,(H2,27,28,33,34)/t25-/m1/s1
InChIKeyOHIKFHUFYCONMB-RUZDIDTESA-N
MW473.49 g/mol
LogP0.85
Rot. Bonds4

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 58042057) has the molecular formula C25H23N5O5 and a molecular weight of 473.49 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID58042057
Molecular FormulaC25H23N5O5
Molecular Weight473.49 g/mol
Exact Mass473.17
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C25H23N5O5/c1-35-19-4-3-17-14-30(22(32)20(17)12-19)15-25(23(33)27-24(34)28-25)9-6-16-2-5-21(26-13-16)29-10-7-18(31)8-11-29/h2-5,12-13H,7-8,10-11,14-15H2,1H3,(H2,27,28,33,34)/t25-/m1/s1
InChIKeyOHIKFHUFYCONMB-RUZDIDTESA-N
XLogP0.85
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 58042057) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(N4CCC(=O)CC4)nc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is OHIKFHUFYCONMB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23N5O5/c1-35-19-4-3-17-14-30(22(32)20(17)12-19)15-25(23(33)27-24(34)28-25)9-6-16-2-5-21(26-13-16)29-10-7-18(31)8-11-29/h2-5,12-13H,7-8,10-11,14-15H2,1H3,(H2,27,28,33,34)/t25-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 473.49 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(4-oxopiperidin-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58042057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).