4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C20H15N3O3S — CID 108627437

IUPAC4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1ccccn1)c1cccs1
InChIInChI=1S/C20H15N3O3S/c24-18(15-5-3-11-27-15)16-17(14-4-1-2-8-22-14)23(20(26)19(16)25)12-13-6-9-21-10-7-13/h1-11,17,25H,12H2
InChIKeyDVTZXXPGDQOQQC-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.32
Rot. Bonds5

About 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108627437) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108627437
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1ccccn1)c1cccs1
InChIInChI=1S/C20H15N3O3S/c24-18(15-5-3-11-27-15)16-17(14-4-1-2-8-22-14)23(20(26)19(16)25)12-13-6-9-21-10-7-13/h1-11,17,25H,12H2
InChIKeyDVTZXXPGDQOQQC-UHFFFAOYSA-N
XLogP3.32
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6997999
4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108604336
(2S)-4-hydroxy-2-(3-phenylmethoxyphenyl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 40616279
4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108594105
4-hydroxy-1-(3-propan-2-yloxypropyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 5306831
4-hydroxy-1-phenyl-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626146
2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108600215
2-(3-butoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3263633
1-benzyl-4-hydroxy-2-(4-iodophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3384698
4-hydroxy-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3854736
2-(3-ethoxy-4-propoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3374589
1-benzyl-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4120170

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108627437) is 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1ccccn1)c1cccs1.
What is the InChIKey of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is DVTZXXPGDQOQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-18(15-5-3-11-27-15)16-17(14-4-1-2-8-22-14)23(20(26)19(16)25)12-13-6-9-21-10-7-13/h1-11,17,25H,12H2.
What are the key properties of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 377.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108627437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).