3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one

C25H26N2O6 — CID 75489267

IUPAC3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccc(OCc3ccccn3)c2)o1
InChIInChI=1S/C25H26N2O6/c1-17-13-22(28)24(30)25(33-17)21(15-23(29)27-9-11-31-12-10-27)18-5-4-7-20(14-18)32-16-19-6-2-3-8-26-19/h2-8,13-14,21,30H,9-12,15-16H2,1H3
InChIKeyCFZNKDOQERVOTC-UHFFFAOYSA-N
MW450.49 g/mol
LogP3.01
Rot. Bonds7

About 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one

3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one (PubChem CID 75489267) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
PubChem CID75489267
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccc(OCc3ccccn3)c2)o1
InChIInChI=1S/C25H26N2O6/c1-17-13-22(28)24(30)25(33-17)21(15-23(29)27-9-11-31-12-10-27)18-5-4-7-20(14-18)32-16-19-6-2-3-8-26-19/h2-8,13-14,21,30H,9-12,15-16H2,1H3
InChIKeyCFZNKDOQERVOTC-UHFFFAOYSA-N
XLogP3.01
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3S)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-[3-(pyridin-2-ylmethoxy)phenyl]propanoate
CID 95858907
3-hydroxy-6-methyl-2-[(1S)-1-(1-methylpyrazol-4-yl)-3-morpholin-4-yl-3-oxopropyl]pyran-4-one
CID 97425826
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-hydroxy-6-(methoxymethyl)-2-(3-morpholin-4-yl-3-oxo-1-quinolin-6-ylpropyl)pyran-4-one
CID 75490617
3-[(1S)-1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-morpholin-4-yl-3-oxopropyl]-1-methylquinolin-2-one
CID 97423712
methyl (3R)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(3-hydroxyphenyl)propanoate
CID 97423901
(3R)-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 125429006
3-hydroxy-2-[(1R)-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-morpholin-4-yl-3-oxopropyl]-6-(methoxymethyl)pyran-4-one
CID 97487886
2-[(1R)-1-(3,4-difluorophenyl)-3-morpholin-4-yl-3-oxopropyl]-3-hydroxy-6-(methoxymethyl)pyran-4-one
CID 97496983
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 33499201
3-[3-hydroxy-4-oxo-6-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)methyl]pyran-2-yl]-3-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 163064731
3-hydroxy-6-(methoxymethyl)-2-[(1S)-3-morpholin-4-yl-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]pyran-4-one
CID 97488738

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one (CID 75489267) is 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one is Cc1cc(=O)c(O)c(C(CC(=O)N2CCOCC2)c2cccc(OCc3ccccn3)c2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one?
The InChIKey is CFZNKDOQERVOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O6/c1-17-13-22(28)24(30)25(33-17)21(15-23(29)27-9-11-31-12-10-27)18-5-4-7-20(14-18)32-16-19-6-2-3-8-26-19/h2-8,13-14,21,30H,9-12,15-16H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one?
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one has a molecular weight of 450.49 g/mol, XLogP of 3.01, 7 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-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one is sourced from PubChem (CID 75489267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).