(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C25H24N2O5 — CID 9498636

IUPAC(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C25H24N2O5/c1-15(2)31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(3)32-20)24(29)25(30)27(22)14-17-5-4-12-26-13-17/h4-13,15,22,29H,14H2,1-3H3/t22-/m1/s1
InChIKeyFAKXEQWJDSSBJO-JOCHJYFZSA-N
MW432.48 g/mol
LogP4.55
Rot. Bonds7

About (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 9498636) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID9498636
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC(C)C)cc2)o1
InChIInChI=1S/C25H24N2O5/c1-15(2)31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(3)32-20)24(29)25(30)27(22)14-17-5-4-12-26-13-17/h4-13,15,22,29H,14H2,1-3H3/t22-/m1/s1
InChIKeyFAKXEQWJDSSBJO-JOCHJYFZSA-N
XLogP4.55
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-4-hydroxy-2-(4-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 985727
(2R)-4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 27305292
4-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one;hydrochloride
CID 163330386
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 2919516
(2S)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 27305294
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 986549
1-benzyl-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 3387018
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 3584441
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108576626
3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 3141387
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 108576638
4-hydroxy-2-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2909843

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 9498636) is (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OC(C)C)cc2)o1.
What is the InChIKey of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is FAKXEQWJDSSBJO-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-15(2)31-19-9-7-18(8-10-19)22-21(23(28)20-11-6-16(3)32-20)24(29)25(30)27(22)14-17-5-4-12-26-13-17/h4-13,15,22,29H,14H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 432.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 9498636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).