6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione

C20H19FINO5 — CID 157054852

IUPAC6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(Cc2ccc(I)cc2F)c2c(=O)n(CC(O)CO)c(C)cc2oc1=O
InChIInChI=1S/C20H19FINO5/c1-10-5-17-18(19(26)23(10)8-14(25)9-24)15(11(2)20(27)28-17)6-12-3-4-13(22)7-16(12)21/h3-5,7,14,24-25H,6,8-9H2,1-2H3
InChIKeyVSKHMFMRENOTNR-UHFFFAOYSA-N
MW499.28 g/mol
LogP2.26
Rot. Bonds5

About 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione

6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 157054852) has the molecular formula C20H19FINO5 and a molecular weight of 499.28 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID157054852
Molecular FormulaC20H19FINO5
Molecular Weight499.28 g/mol
Exact Mass499.03
IUPAC Name6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(Cc2ccc(I)cc2F)c2c(=O)n(CC(O)CO)c(C)cc2oc1=O
InChIInChI=1S/C20H19FINO5/c1-10-5-17-18(19(26)23(10)8-14(25)9-24)15(11(2)20(27)28-17)6-12-3-4-13(22)7-16(12)21/h3-5,7,14,24-25H,6,8-9H2,1-2H3
InChIKeyVSKHMFMRENOTNR-UHFFFAOYSA-N
XLogP2.26
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-[2-[acetyl(methyl)amino]ethyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide;6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluoro-4-iodophenyl)methyl]-6-(3-methoxypropyl)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 159340375
6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione
CID 158499829
4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-[2-(methylamino)ethyl]-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;hydrochloride
CID 158087857
4-[(2-fluoro-4-iodophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 158684353
4-chloro-6-[(4S)-4,5-dihydroxypentanoyl]-5-[(2-fluoro-4-iodophenyl)methyl]-2-methylpyridazin-3-one
CID 58368302
2-[3-[6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]-N-methylacetamide
CID 158224288
3-[6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]benzamide
CID 149098720
5-[N-(2,3-dihydroxypropyl)-2-fluoro-4-iodoanilino]-2,4-dimethylpyridazin-3-one
CID 141213513
5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
5-[(2-fluoro-4-iodophenyl)methyl]-6-(2-methoxyacetyl)-2,4-dimethylpyridazin-3-one
CID 58360691
2-(2,3-dihydroxypropoxy)-1-[4-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]-1,3-benzoxazol-6-yl]ethanone
CID 159284362
5-cyano-N-[(2R)-2,3-dihydroxypropoxy]-2-[(2-fluoro-4-iodophenyl)methyl]-4-methylthiophene-3-carboxamide
CID 164969979

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione (CID 157054852) is 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione is Cc1c(Cc2ccc(I)cc2F)c2c(=O)n(CC(O)CO)c(C)cc2oc1=O.
What is the InChIKey of 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is VSKHMFMRENOTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FINO5/c1-10-5-17-18(19(26)23(10)8-14(25)9-24)15(11(2)20(27)28-17)6-12-3-4-13(22)7-16(12)21/h3-5,7,14,24-25H,6,8-9H2,1-2H3.
What are the key properties of 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione?
6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 499.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 157054852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).