(4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one

C29H33N5O4 — CID 163407783

IUPAC(4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one
SMILESCc1cc(C(C(=O)N2C[C@H](O)C[C@@H]2C2=N[C@](C)(c3ccc(-c4cccnc4C)cc3)C(=O)N2)C(C)C)on1
InChIInChI=1S/C29H33N5O4/c1-16(2)25(24-13-17(3)33-38-24)27(36)34-15-21(35)14-23(34)26-31-28(37)29(5,32-26)20-10-8-19(9-11-20)22-7-6-12-30-18(22)4/h6-13,16,21,23,25,35H,14-15H2,1-5H3,(H,31,32,37)/t21-,23-,25?,29-/m1/s1
InChIKeyWPZOEZCNSSMQBG-DTHKXDAOSA-N
MW515.61 g/mol
LogP3.50
Rot. Bonds6

About (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one

(4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one (PubChem CID 163407783) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one
PubChem CID163407783
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name(4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one
SMILESCc1cc(C(C(=O)N2C[C@H](O)C[C@@H]2C2=N[C@](C)(c3ccc(-c4cccnc4C)cc3)C(=O)N2)C(C)C)on1
InChIInChI=1S/C29H33N5O4/c1-16(2)25(24-13-17(3)33-38-24)27(36)34-15-21(35)14-23(34)26-31-28(37)29(5,32-26)20-10-8-19(9-11-20)22-7-6-12-30-18(22)4/h6-13,16,21,23,25,35H,14-15H2,1-5H3,(H,31,32,37)/t21-,23-,25?,29-/m1/s1
InChIKeyWPZOEZCNSSMQBG-DTHKXDAOSA-N
XLogP3.50
TPSA120.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one with MolForge

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Related Compounds

US11242344, Example 104.4
CID 163407777
US11242344, Example 108.3
CID 163407787
US11242344, Example 108.4
CID 163407788
US11242344, Example 105.4
CID 163407781
US11242344, Example 108.2
CID 163407786
N-[(2S,3S)-4-[(2S)-4,4-difluoro-2-(pyridin-3-ylmethylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 58682338
(2S,4R)-N-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 72734393
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572338
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572506
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572558
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572616
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572711

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one?
The IUPAC name of (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one (CID 163407783) is (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one.
What is the SMILES notation for (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one?
The canonical SMILES for (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one is Cc1cc(C(C(=O)N2C[C@H](O)C[C@@H]2C2=N[C@](C)(c3ccc(-c4cccnc4C)cc3)C(=O)N2)C(C)C)on1.
What is the InChIKey of (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one?
The InChIKey is WPZOEZCNSSMQBG-DTHKXDAOSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-16(2)25(24-13-17(3)33-38-24)27(36)34-15-21(35)14-23(34)26-31-28(37)29(5,32-26)20-10-8-19(9-11-20)22-7-6-12-30-18(22)4/h6-13,16,21,23,25,35H,14-15H2,1-5H3,(H,31,32,37)/t21-,23-,25?,29-/m1/s1.
What are the key properties of (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one?
(4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one has a molecular weight of 515.61 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[(2R,4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-1H-imidazol-5-one is sourced from PubChem (CID 163407783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).