3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one

C21H17N3O4 — CID 146048839

IUPAC3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c(-c2[nH]c(-c3cccnc3)nc2-c2ccccc2)o1
InChIInChI=1S/C21H17N3O4/c1-27-12-15-10-16(25)19(26)20(28-15)18-17(13-6-3-2-4-7-13)23-21(24-18)14-8-5-9-22-11-14/h2-11,26H,12H2,1H3,(H,23,24)
InChIKeyQCBFYKKLCXNNRR-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.61
Rot. Bonds5

About 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one

3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one (PubChem CID 146048839) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one
PubChem CID146048839
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one
SMILESCOCc1cc(=O)c(O)c(-c2[nH]c(-c3cccnc3)nc2-c2ccccc2)o1
InChIInChI=1S/C21H17N3O4/c1-27-12-15-10-16(25)19(26)20(28-15)18-17(13-6-3-2-4-7-13)23-21(24-18)14-8-5-9-22-11-14/h2-11,26H,12H2,1H3,(H,23,24)
InChIKeyQCBFYKKLCXNNRR-UHFFFAOYSA-N
XLogP3.61
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)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-(methoxymethyl)-2-(4-phenyl-2-propan-2-yl-1H-imidazol-5-yl)pyran-4-one
CID 146048744
2-[2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-3-hydroxy-6-methylpyran-4-one
CID 134716948
2-[5-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]benzoic acid
CID 135638731
3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
CID 154925357
disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
CID 139881687
3-hydroxy-2-[4-(4-hydroxy-3-methoxyphenyl)-2-(2-hydroxyphenyl)-1H-imidazol-5-yl]-6-methylpyran-4-one
CID 154925407
3-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]pyridine
CID 150000034
2-[3-[5-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-4-(3-methoxyphenyl)-1H-imidazol-2-yl]indol-1-yl]acetic acid
CID 154925376
2-[2-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-1H-imidazol-5-yl]-3-hydroxy-6-methylpyran-4-one
CID 154925386
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
6,7-bis(2-methoxyethoxy)-2-pyridin-3-yl-3H-quinazolin-4-one
CID 136601897

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one (CID 146048839) is 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one is COCc1cc(=O)c(O)c(-c2[nH]c(-c3cccnc3)nc2-c2ccccc2)o1.
What is the InChIKey of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one?
The InChIKey is QCBFYKKLCXNNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-27-12-15-10-16(25)19(26)20(28-15)18-17(13-6-3-2-4-7-13)23-21(24-18)14-8-5-9-22-11-14/h2-11,26H,12H2,1H3,(H,23,24).
What are the key properties of 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one?
3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one has a molecular weight of 375.38 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one is sourced from PubChem (CID 146048839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).