(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione

C28H25N5O4 — CID 70792495

IUPAC(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5C)c4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H25N5O4/c1-3-37-22-10-6-19-15-33(25(34)23(19)13-22)16-28(26(35)30-27(36)31-28)21-8-4-17(5-9-21)18-7-11-24-20(12-18)14-29-32(24)2/h4-14H,3,15-16H2,1-2H3,(H2,30,31,35,36)/t28-/m0/s1
InChIKeyAWLJFRHANOLURC-NDEPHWFRSA-N
MW495.54 g/mol
LogP3.33
Rot. Bonds6

About (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 70792495) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
PubChem CID70792495
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC Name(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
SMILESCCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5C)c4)cc3)NC(=O)NC1=O)C2
InChIInChI=1S/C28H25N5O4/c1-3-37-22-10-6-19-15-33(25(34)23(19)13-22)16-28(26(35)30-27(36)31-28)21-8-4-17(5-9-21)18-7-11-24-20(12-18)14-29-32(24)2/h4-14H,3,15-16H2,1-2H3,(H2,30,31,35,36)/t28-/m0/s1
InChIKeyAWLJFRHANOLURC-NDEPHWFRSA-N
XLogP3.33
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione (CID 70792495) is (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione is CCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc5c(cnn5C)c4)cc3)NC(=O)NC1=O)C2.
What is the InChIKey of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is AWLJFRHANOLURC-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-3-37-22-10-6-19-15-33(25(34)23(19)13-22)16-28(26(35)30-27(36)31-28)21-8-4-17(5-9-21)18-7-11-24-20(12-18)14-29-32(24)2/h4-14H,3,15-16H2,1-2H3,(H2,30,31,35,36)/t28-/m0/s1.
What are the key properties of (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 495.54 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-ethoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 70792495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).