(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C23H19BrN2O3 — CID 94073554

IUPAC(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C23H19BrN2O3/c1-29-19-9-7-16(8-10-19)20-21(17-5-2-6-18(24)12-17)26(23(28)22(20)27)14-15-4-3-11-25-13-15/h2-13,21,27H,14H2,1H3/t21-/m1/s1
InChIKeyICNMFSLCPWQFPL-OAQYLSRUSA-N
MW451.32 g/mol
LogP4.91
Rot. Bonds5

About (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 94073554) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID94073554
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC Name(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1
InChIInChI=1S/C23H19BrN2O3/c1-29-19-9-7-16(8-10-19)20-21(17-5-2-6-18(24)12-17)26(23(28)22(20)27)14-15-4-3-11-25-13-15/h2-13,21,27H,14H2,1H3/t21-/m1/s1
InChIKeyICNMFSLCPWQFPL-OAQYLSRUSA-N
XLogP4.91
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-benzyl-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94072786
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072874
2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 50774337
2-(3-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
CID 50773841
(2S)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072929
(2S)-4-hydroxy-2,3-diphenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 94073557
(2S)-2-(3-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071969
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50774168
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072943
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 94073554) is (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is ICNMFSLCPWQFPL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-29-19-9-7-16(8-10-19)20-21(17-5-2-6-18(24)12-17)26(23(28)22(20)27)14-15-4-3-11-25-13-15/h2-13,21,27H,14H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
(2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 451.32 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).