4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione

C27H24FNO4 — CID 162028646

IUPAC4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
SMILESCC(=O)Cc1cccc(-c2c(C)n(C)c(=O)c3c(Cc4ccccc4F)c(C)c(=O)oc23)c1
InChIInChI=1S/C27H24FNO4/c1-15(30)12-18-8-7-10-20(13-18)23-17(3)29(4)26(31)24-21(16(2)27(32)33-25(23)24)14-19-9-5-6-11-22(19)28/h5-11,13H,12,14H2,1-4H3
InChIKeyBFQOUQIFAZWEEF-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.64
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione

4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 162028646) has the molecular formula C27H24FNO4 and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
PubChem CID162028646
Molecular FormulaC27H24FNO4
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
SMILESCC(=O)Cc1cccc(-c2c(C)n(C)c(=O)c3c(Cc4ccccc4F)c(C)c(=O)oc23)c1
InChIInChI=1S/C27H24FNO4/c1-15(30)12-18-8-7-10-20(13-18)23-17(3)29(4)26(31)24-21(16(2)27(32)33-25(23)24)14-19-9-5-6-11-22(19)28/h5-11,13H,12,14H2,1-4H3
InChIKeyBFQOUQIFAZWEEF-UHFFFAOYSA-N
XLogP4.64
TPSA69.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[3-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]phenyl]acetate
CID 140037261
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine
CID 146888905
3-[6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]benzamide
CID 149098720
4-[(2-Fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 153492067
N-tert-butyl-2-[3-[6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
CID 157192275
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
CID 157200480
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(methylsulfinylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 157205578
4-[(2-Fluoro-4-iodophenyl)methyl]-6-(2-methoxyethyl)-3,7-dimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 157392480
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(methylaminomethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 157683215
6-Cyclopropyl-8-[3-[(dimethylamino)methyl]phenyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 157683216
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-(2-methylphenyl)pyrano[3,2-c]pyridine-2,5-dione
CID 157715381
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
CID 157715865

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (CID 162028646) is 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is CC(=O)Cc1cccc(-c2c(C)n(C)c(=O)c3c(Cc4ccccc4F)c(C)c(=O)oc23)c1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is BFQOUQIFAZWEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO4/c1-15(30)12-18-8-7-10-20(13-18)23-17(3)29(4)26(31)24-21(16(2)27(32)33-25(23)24)14-19-9-5-6-11-22(19)28/h5-11,13H,12,14H2,1-4H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 445.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 162028646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).