(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione

C27H21FN4O4 — CID 90725979

IUPAC(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCC#CCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(F)cn5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C27H21FN4O4/c1-2-3-12-36-21-10-6-18-15-32(24(33)22(18)13-21)16-27(25(34)30-26(35)31-27)19-7-4-17(5-8-19)23-11-9-20(28)14-29-23/h4-11,13-15,33H,12,16H2,1H3,(H2,30,31,34,35)/t27-/m0/s1
InChIKeyBGGIXMFVFSQQSB-MHZLTWQESA-N
MW484.49 g/mol
LogP3.68
Rot. Bonds6

About (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione

(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione (PubChem CID 90725979) has the molecular formula C27H21FN4O4 and a molecular weight of 484.49 g/mol. Its IUPAC name is (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
PubChem CID90725979
Molecular FormulaC27H21FN4O4
Molecular Weight484.49 g/mol
Exact Mass484.15
IUPAC Name(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione
SMILESCC#CCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(F)cn5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C27H21FN4O4/c1-2-3-12-36-21-10-6-18-15-32(24(33)22(18)13-21)16-27(25(34)30-26(35)31-27)19-7-4-17(5-8-19)23-11-9-20(28)14-29-23/h4-11,13-15,33H,12,16H2,1H3,(H2,30,31,34,35)/t27-/m0/s1
InChIKeyBGGIXMFVFSQQSB-MHZLTWQESA-N
XLogP3.68
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 53.68
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-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]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-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione (CID 90725979) is (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione is CC#CCOc1ccc2cn(C[C@@]3(c4ccc(-c5ccc(F)cn5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is BGGIXMFVFSQQSB-MHZLTWQESA-N. The full InChI is InChI=1S/C27H21FN4O4/c1-2-3-12-36-21-10-6-18-15-32(24(33)22(18)13-21)16-27(25(34)30-26(35)31-27)19-7-4-17(5-8-19)23-11-9-20(28)14-29-23/h4-11,13-15,33H,12,16H2,1H3,(H2,30,31,34,35)/t27-/m0/s1.
What are the key properties of (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione?
(5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 484.49 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(6-but-2-ynoxy-1-hydroxyisoindol-2-yl)methyl]-5-[4-(5-fluoro-2-pyridinyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 90725979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).