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

C27H26FNO5S — CID 153492067

IUPAC4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(CS(C)(=O)=O)cccc1-c1c(C)n(C)c(=O)c2c(Cc3ccccc3F)c(C)c(=O)oc12
InChIInChI=1S/C27H26FNO5S/c1-15-19(14-35(5,32)33)10-8-11-20(15)23-17(3)29(4)26(30)24-21(16(2)27(31)34-25(23)24)13-18-9-6-7-12-22(18)28/h6-12H,13-14H2,1-5H3
InChIKeyMSEWETWQZYOIEY-UHFFFAOYSA-N
MW495.57 g/mol
LogP4.36
Rot. Bonds5

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

4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 153492067) has the molecular formula C27H26FNO5S and a molecular weight of 495.57 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
PubChem CID153492067
Molecular FormulaC27H26FNO5S
Molecular Weight495.57 g/mol
Exact Mass495.15
IUPAC Name4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1c(CS(C)(=O)=O)cccc1-c1c(C)n(C)c(=O)c2c(Cc3ccccc3F)c(C)c(=O)oc12
InChIInChI=1S/C27H26FNO5S/c1-15-19(14-35(5,32)33)10-8-11-20(15)23-17(3)29(4)26(30)24-21(16(2)27(31)34-25(23)24)13-18-9-6-7-12-22(18)28/h6-12H,13-14H2,1-5H3
InChIKeyMSEWETWQZYOIEY-UHFFFAOYSA-N
XLogP4.36
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Cyclopropyl-3-ethyl-4-[(2-fluoro-4-iodophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 153492060
6-Cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 153492078
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
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 157205579
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 157323549
8-[2-Chloro-3-(methylsulfonylmethyl)phenyl]-6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 157935601
6-Cyclopropyl-8-[3-(cyclopropylsulfonylmethyl)-2-methylphenyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 158177507
6-Cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-8-[3-(2-hydroxyethylsulfonylmethyl)phenyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 158281768
4-[(2-Fluoro-4-iodophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 158350002
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
6-Cyclopropyl-8-[3-(ethylsulfonylmethyl)phenyl]-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 159180601
6-Cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 157323550

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (CID 153492067) is 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is Cc1c(CS(C)(=O)=O)cccc1-c1c(C)n(C)c(=O)c2c(Cc3ccccc3F)c(C)c(=O)oc12.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is MSEWETWQZYOIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FNO5S/c1-15-19(14-35(5,32)33)10-8-11-20(15)23-17(3)29(4)26(30)24-21(16(2)27(31)34-25(23)24)13-18-9-6-7-12-22(18)28/h6-12H,13-14H2,1-5H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?
4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 495.57 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-3,6,7-trimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 153492067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).