3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one

C17H21N3O5 — CID 97425826

IUPAC3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one
SMILESCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cnn(C)c2)o1
InChIInChI=1S/C17H21N3O5/c1-11-7-14(21)16(23)17(25-11)13(12-9-18-19(2)10-12)8-15(22)20-3-5-24-6-4-20/h7,9-10,13,23H,3-6,8H2,1-2H3/t13-/m0/s1
InChIKeyRMXZNBIRUAGISS-ZDUSSCGKSA-N
MW347.37 g/mol
LogP0.77
Rot. Bonds4

About 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one

3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one (PubChem CID 97425826) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one
PubChem CID97425826
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one
SMILESCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cnn(C)c2)o1
InChIInChI=1S/C17H21N3O5/c1-11-7-14(21)16(23)17(25-11)13(12-9-18-19(2)10-12)8-15(22)20-3-5-24-6-4-20/h7,9-10,13,23H,3-6,8H2,1-2H3/t13-/m0/s1
InChIKeyRMXZNBIRUAGISS-ZDUSSCGKSA-N
XLogP0.77
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-6-methyl-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(1-propan-2-ylpyrazol-4-yl)propyl]pyran-4-one
CID 97426182
3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one
CID 97423712
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
CID 75489267
3-hydroxy-2-[(1R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-6-(methoxymethyl)pyran-4-one
CID 97487886
3-hydroxy-6-(methoxymethyl)-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]pyran-4-one
CID 97488738
2-[(1R)-1-(3,4-difluorophenyl)-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496983
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 135640522
3-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
CID 75490617
methyl 3-[3-hydroxy-4-oxo-6-(phenylsulfanylmethyl)pyran-2-yl]-3-(1-methylpyrazol-4-yl)propanoate
CID 71708425
methyl (3R)-3-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-4-oxopyran-2-yl]-3-(1-methylpyrazol-4-yl)propanoate
CID 125428405
methyl (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanoate
CID 97424811
4-[(1R)-3-amino-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-oxopropyl]benzoic acid
CID 99997462

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one (CID 97425826) is 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one is Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)c2cnn(C)c2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one?
The InChIKey is RMXZNBIRUAGISS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11-7-14(21)16(23)17(25-11)13(12-9-18-19(2)10-12)8-15(22)20-3-5-24-6-4-20/h7,9-10,13,23H,3-6,8H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one has a molecular weight of 347.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one is sourced from PubChem (CID 97425826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).