(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

C25H24N2O2 — CID 94073580

IUPAC(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc([C@@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17(2)19-8-10-21(11-9-19)23-22(20-6-4-3-5-7-20)24(28)25(29)27(23)16-18-12-14-26-15-13-18/h3-15,17,23,28H,16H2,1-2H3/t23-/m1/s1
InChIKeyPHZKDMVFIPUYNO-HSZRJFAPSA-N
MW384.48 g/mol
LogP5.26
Rot. Bonds5

About (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 94073580) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID94073580
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc([C@@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C25H24N2O2/c1-17(2)19-8-10-21(11-9-19)23-22(20-6-4-3-5-7-20)24(28)25(29)27(23)16-18-12-14-26-15-13-18/h3-15,17,23,28H,16H2,1-2H3/t23-/m1/s1
InChIKeyPHZKDMVFIPUYNO-HSZRJFAPSA-N
XLogP5.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzyl-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51981984
(2S)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 94073303
(2R)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 51982033
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2S)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 94072869
(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 94073557
(2S)-2-(4-ethylphenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072919
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 94073580) is (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is CC(C)c1ccc([C@@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccncc2)cc1.
What is the InChIKey of (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is PHZKDMVFIPUYNO-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17(2)19-8-10-21(11-9-19)23-22(20-6-4-3-5-7-20)24(28)25(29)27(23)16-18-12-14-26-15-13-18/h3-15,17,23,28H,16H2,1-2H3/t23-/m1/s1.
What are the key properties of (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
(2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 384.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-3-phenyl-2-(4-propan-2-ylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).