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

C26H21N5O5 — CID 46200570

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ccc(C)[nH]c4=O)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O5/c1-15-3-7-19(22(32)28-15)21-8-4-16(12-27-21)9-10-26(24(34)29-25(35)30-26)14-31-13-17-5-6-18(36-2)11-20(17)23(31)33/h3-8,11-12H,13-14H2,1-2H3,(H,28,32)(H2,29,30,34,35)/t26-/m1/s1
InChIKeyLLYJCPKPOUWCMM-AREMUKBSSA-N
MW483.48 g/mol
LogP1.34
Rot. Bonds4

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 46200570) has the molecular formula C26H21N5O5 and a molecular weight of 483.48 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-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-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID46200570
Molecular FormulaC26H21N5O5
Molecular Weight483.48 g/mol
Exact Mass483.15
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ccc(C)[nH]c4=O)nc3)NC(=O)NC1=O)C2
InChIInChI=1S/C26H21N5O5/c1-15-3-7-19(22(32)28-15)21-8-4-16(12-27-21)9-10-26(24(34)29-25(35)30-26)14-31-13-17-5-6-18(36-2)11-20(17)23(31)33/h3-8,11-12H,13-14H2,1-2H3,(H,28,32)(H2,29,30,34,35)/t26-/m1/s1
InChIKeyLLYJCPKPOUWCMM-AREMUKBSSA-N
XLogP1.34
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(6-methyl-2-oxo-1H-pyridin-3-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-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 46200570) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-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-(6-methyl-2-oxo-1H-pyridin-3-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-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ccc(C)[nH]c4=O)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-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is LLYJCPKPOUWCMM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H21N5O5/c1-15-3-7-19(22(32)28-15)21-8-4-16(12-27-21)9-10-26(24(34)29-25(35)30-26)14-31-13-17-5-6-18(36-2)11-20(17)23(31)33/h3-8,11-12H,13-14H2,1-2H3,(H,28,32)(H2,29,30,34,35)/t26-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 483.48 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 46200570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).