8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C25H30FN3O2S — CID 86281094

IUPAC8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
InChIInChI=1S/C25H30FN3O2S/c1-16-13-29(14-17(2)31-16)23-22-15-30-25(3,4)11-20(22)21(12-27)24(28-23)32-9-8-18-6-5-7-19(26)10-18/h5-7,10,16-17H,8-9,11,13-15H2,1-4H3
InChIKeyWRFINXFWYQVKOC-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.89
Rot. Bonds5

About 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 86281094) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID86281094
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC Name8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
InChIInChI=1S/C25H30FN3O2S/c1-16-13-29(14-17(2)31-16)23-22-15-30-25(3,4)11-20(22)21(12-27)24(28-23)32-9-8-18-6-5-7-19(26)10-18/h5-7,10,16-17H,8-9,11,13-15H2,1-4H3
InChIKeyWRFINXFWYQVKOC-UHFFFAOYSA-N
XLogP4.89
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 86281094) is 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.
What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is WRFINXFWYQVKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c1-16-13-29(14-17(2)31-16)23-22-15-30-25(3,4)11-20(22)21(12-27)24(28-23)32-9-8-18-6-5-7-19(26)10-18/h5-7,10,16-17H,8-9,11,13-15H2,1-4H3.
What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 455.60 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 86281094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).