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

C20H15N3O3S — CID 2951255

IUPAC4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1
InChIInChI=1S/C20H15N3O3S/c24-18(15-7-4-10-27-15)16-17(14-6-1-2-9-22-14)23(20(26)19(16)25)12-13-5-3-8-21-11-13/h1-11,17,25H,12H2
InChIKeyWYMBINPTLUFEPB-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.32
Rot. Bonds5

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

4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2951255) 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-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2951255
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1
InChIInChI=1S/C20H15N3O3S/c24-18(15-7-4-10-27-15)16-17(14-6-1-2-9-22-14)23(20(26)19(16)25)12-13-5-3-8-21-11-13/h1-11,17,25H,12H2
InChIKeyWYMBINPTLUFEPB-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2951255) is 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccn1)c1cccs1.
What is the InChIKey of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is WYMBINPTLUFEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-18(15-7-4-10-27-15)16-17(14-6-1-2-9-22-14)23(20(26)19(16)25)12-13-5-3-8-21-11-13/h1-11,17,25H,12H2.
What are the key properties of 4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-pyridin-2-yl-1-(pyridin-3-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-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2951255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).