2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C21H26N4O4S — CID 19615284

IUPAC2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cnn1C
InChIInChI=1S/C21H26N4O4S/c1-14-15(13-22-23(14)2)18-17(19(26)16-5-3-12-30-16)20(27)21(28)25(18)7-4-6-24-8-10-29-11-9-24/h3,5,12-13,18,27H,4,6-11H2,1-2H3
InChIKeyXYEYXKPPCVQODA-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.09
Rot. Bonds7

About 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 19615284) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID19615284
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cnn1C
InChIInChI=1S/C21H26N4O4S/c1-14-15(13-22-23(14)2)18-17(19(26)16-5-3-12-30-16)20(27)21(28)25(18)7-4-6-24-8-10-29-11-9-24/h3,5,12-13,18,27H,4,6-11H2,1-2H3
InChIKeyXYEYXKPPCVQODA-UHFFFAOYSA-N
XLogP2.09
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1333033
(2S)-2-(2,4-dichlorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 40977249
2-(4-fluorophenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2908691
(2S)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(2-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28630565
(2S)-4-hydroxy-2-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155611
4-hydroxy-2-(3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2919233
(2S)-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1384857
(2R)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155621
(2S)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1387516
(2S)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28799342
(2S)-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 28798218
(2R)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1084880

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 19615284) is 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is XYEYXKPPCVQODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-14-15(13-22-23(14)2)18-17(19(26)16-5-3-12-30-16)20(27)21(28)25(18)7-4-6-24-8-10-29-11-9-24/h3,5,12-13,18,27H,4,6-11H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 430.53 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 19615284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).