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

C27H22FN5O3 — CID 143510078

IUPAC(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCc1[nH]nc2ccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)cc12
InChIInChI=1S/C27H22FN5O3/c1-2-22-21-11-16(6-10-23(21)32-31-22)15-3-7-18(8-4-15)27(25(35)29-26(36)30-27)14-33-13-17-5-9-19(28)12-20(17)24(33)34/h3-12H,2,13-14H2,1H3,(H,31,32)(H2,29,30,35,36)/t27-/m0/s1
InChIKeyPIFSORIFMHXJMN-MHZLTWQESA-N
MW483.50 g/mol
LogP3.62
Rot. Bonds5

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

(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 143510078) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 g/mol. Its IUPAC name is (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID143510078
Molecular FormulaC27H22FN5O3
Molecular Weight483.50 g/mol
Exact Mass483.17
IUPAC Name(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCc1[nH]nc2ccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)cc12
InChIInChI=1S/C27H22FN5O3/c1-2-22-21-11-16(6-10-23(21)32-31-22)15-3-7-18(8-4-15)27(25(35)29-26(36)30-27)14-33-13-17-5-9-19(28)12-20(17)24(33)34/h3-12H,2,13-14H2,1H3,(H,31,32)(H2,29,30,35,36)/t27-/m0/s1
InChIKeyPIFSORIFMHXJMN-MHZLTWQESA-N
XLogP3.62
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione (CID 143510078) is (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is CCc1[nH]nc2ccc(-c3ccc([C@]4(CN5Cc6ccc(F)cc6C5=O)NC(=O)NC4=O)cc3)cc12.
What is the InChIKey of (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is PIFSORIFMHXJMN-MHZLTWQESA-N. The full InChI is InChI=1S/C27H22FN5O3/c1-2-22-21-11-16(6-10-23(21)32-31-22)15-3-7-18(8-4-15)27(25(35)29-26(36)30-27)14-33-13-17-5-9-19(28)12-20(17)24(33)34/h3-12H,2,13-14H2,1H3,(H,31,32)(H2,29,30,35,36)/t27-/m0/s1.
What are the key properties of (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 483.50 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(3-ethyl-2H-indazol-5-yl)phenyl]-5-[(5-fluoro-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143510078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).