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

C23H18N6O4 — CID 58042127

IUPAC(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-c4ccn[nH]4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H18N6O4/c1-33-17-3-2-15-12-29(20(30)18(15)9-17)13-23(21(31)26-22(32)27-23)6-4-14-8-16(11-24-10-14)19-5-7-25-28-19/h2-3,5,7-11H,12-13H2,1H3,(H,25,28)(H2,26,27,31,32)/t23-/m1/s1
InChIKeyHJEQYNGQEIKJKU-HSZRJFAPSA-N
MW442.44 g/mol
LogP1.07
Rot. Bonds4

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

(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 58042127) has the molecular formula C23H18N6O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-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-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID58042127
Molecular FormulaC23H18N6O4
Molecular Weight442.44 g/mol
Exact Mass442.14
IUPAC Name(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-c4ccn[nH]4)c3)NC(=O)NC1=O)C2
InChIInChI=1S/C23H18N6O4/c1-33-17-3-2-15-12-29(20(30)18(15)9-17)13-23(21(31)26-22(32)27-23)6-4-14-8-16(11-24-10-14)19-5-7-25-28-19/h2-3,5,7-11H,12-13H2,1H3,(H,25,28)(H2,26,27,31,32)/t23-/m1/s1
InChIKeyHJEQYNGQEIKJKU-HSZRJFAPSA-N
XLogP1.07
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 51.07
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'}

Analyze (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-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-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 58042127) is (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-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-[5-(1H-pyrazol-5-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-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-c4ccn[nH]4)c3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is HJEQYNGQEIKJKU-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N6O4/c1-33-17-3-2-15-12-29(20(30)18(15)9-17)13-23(21(31)26-22(32)27-23)6-4-14-8-16(11-24-10-14)19-5-7-25-28-19/h2-3,5,7-11H,12-13H2,1H3,(H,25,28)(H2,26,27,31,32)/t23-/m1/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 442.44 g/mol, XLogP of 1.07, 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-[5-(1H-pyrazol-5-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 58042127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).