3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one

C25H25N3O5 — CID 661937

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C25H25N3O5/c29-23(20-16-17-6-1-2-8-19(17)33-20)21-22(18-7-3-4-9-26-18)28(25(31)24(21)30)11-5-10-27-12-14-32-15-13-27/h1-4,6-9,16,22,30H,5,10-15H2
InChIKeyUYTFYWYFAFFTPV-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.13
Rot. Bonds7

About 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one (PubChem CID 661937) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
PubChem CID661937
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cc2ccccc2o1
InChIInChI=1S/C25H25N3O5/c29-23(20-16-17-6-1-2-8-19(17)33-20)21-22(18-7-3-4-9-26-18)28(25(31)24(21)30)11-5-10-27-12-14-32-15-13-27/h1-4,6-9,16,22,30H,5,10-15H2
InChIKeyUYTFYWYFAFFTPV-UHFFFAOYSA-N
XLogP3.13
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 4209092
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 3536054
3-(furan-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 3770617
(2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one
CID 1033534
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-naphthalen-1-yl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589876
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635019
4-hydroxy-3-(5-methyl-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ylpropyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 4864194
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 1155121
3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-phenyl-2H-pyrrol-5-one
CID 3146487
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75792677
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-pentyl-2H-pyrrol-5-one
CID 108648601
4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-pentyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108628077

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one (CID 661937) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)C1c1ccccn1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
The InChIKey is UYTFYWYFAFFTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c29-23(20-16-17-6-1-2-8-19(17)33-20)21-22(18-7-3-4-9-26-18)28(25(31)24(21)30)11-5-10-27-12-14-32-15-13-27/h1-4,6-9,16,22,30H,5,10-15H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one has a molecular weight of 447.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-pyridin-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 661937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).