(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione

C23H18F3N5O4 — CID 91544499

IUPAC(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-n5ccc(C(F)(F)F)n5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C23H18F3N5O4/c1-35-16-7-2-13-11-30(19(32)17(13)10-16)12-22(20(33)27-21(34)28-22)14-3-5-15(6-4-14)31-9-8-18(29-31)23(24,25)26/h2-11,32H,12H2,1H3,(H2,27,28,33,34)/t22-/m0/s1
InChIKeyJLHNJIMZXAASTH-QFIPXVFZSA-N
MW485.42 g/mol
LogP3.29
Rot. Bonds5

About (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 91544499) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
PubChem CID91544499
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC Name(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
SMILESCOc1ccc2cn(C[C@@]3(c4ccc(-n5ccc(C(F)(F)F)n5)cc4)NC(=O)NC3=O)c(O)c2c1
InChIInChI=1S/C23H18F3N5O4/c1-35-16-7-2-13-11-30(19(32)17(13)10-16)12-22(20(33)27-21(34)28-22)14-3-5-15(6-4-14)31-9-8-18(29-31)23(24,25)26/h2-11,32H,12H2,1H3,(H2,27,28,33,34)/t22-/m0/s1
InChIKeyJLHNJIMZXAASTH-QFIPXVFZSA-N
XLogP3.29
TPSA110.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[2-[4-[3-hydroxy-6-(1-methylpyrazol-4-yl)-2-pyridinyl]phenyl]ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199013
(5R)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-[3-hydroxy-6-(1-methylpyrazol-4-yl)-2-pyridinyl]phenyl]ethynyl]imidazolidine-2,4-dione
CID 46199477
(5R)-5-[2-[3-fluoro-4-[3-hydroxy-6-(1-methylpyrazol-4-yl)-2-pyridinyl]phenyl]ethynyl]-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199627
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 68042906
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[2-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 68042907
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 68042913
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
CID 68042916
2-(5-hydroxy-1-methylindol-3-yl)-N-[[2-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]methyl]propanamide
CID 57336039
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 57561309
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione
CID 57561395
(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione
CID 57561456
(5R)-5-[1-(4-fluorophenyl)pyrazol-4-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 57561487

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione (CID 91544499) is (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4ccc(-n5ccc(C(F)(F)F)n5)cc4)NC(=O)NC3=O)c(O)c2c1.
What is the InChIKey of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is JLHNJIMZXAASTH-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H18F3N5O4/c1-35-16-7-2-13-11-30(19(32)17(13)10-16)12-22(20(33)27-21(34)28-22)14-3-5-15(6-4-14)31-9-8-18(29-31)23(24,25)26/h2-11,32H,12H2,1H3,(H2,27,28,33,34)/t22-/m0/s1.
What are the key properties of (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione?
(5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 485.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 91544499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).