(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C22H16Cl2N2O4 — CID 6547222

IUPAC(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C22H16Cl2N2O4/c1-12-4-7-17(30-12)20(27)18-19(14-5-6-15(23)16(24)9-14)26(22(29)21(18)28)11-13-3-2-8-25-10-13/h2-10,19,28H,11H2,1H3/t19-/m0/s1
InChIKeyGYKFWZDWSXIVOD-IBGZPJMESA-N
MW443.29 g/mol
LogP5.07
Rot. Bonds5

About (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 6547222) has the molecular formula C22H16Cl2N2O4 and a molecular weight of 443.29 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID6547222
Molecular FormulaC22H16Cl2N2O4
Molecular Weight443.29 g/mol
Exact Mass442.05
IUPAC Name(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C22H16Cl2N2O4/c1-12-4-7-17(30-12)20(27)18-19(14-5-6-15(23)16(24)9-14)26(22(29)21(18)28)11-13-3-2-8-25-10-13/h2-10,19,28H,11H2,1H3/t19-/m0/s1
InChIKeyGYKFWZDWSXIVOD-IBGZPJMESA-N
XLogP5.07
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 6547222) is (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is GYKFWZDWSXIVOD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H16Cl2N2O4/c1-12-4-7-17(30-12)20(27)18-19(14-5-6-15(23)16(24)9-14)26(22(29)21(18)28)11-13-3-2-8-25-10-13/h2-10,19,28H,11H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 443.29 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 6547222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).