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

C26H33N3O3S — CID 86280957

IUPAC8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOc1cccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)c1
InChIInChI=1S/C26H33N3O3S/c1-17-14-29(15-18(2)32-17)24-23-16-31-26(3,4)12-21(23)22(13-27)25(28-24)33-10-9-19-7-6-8-20(11-19)30-5/h6-8,11,17-18H,9-10,12,14-16H2,1-5H3
InChIKeyDGKPAYDCADKTIT-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.76
Rot. Bonds6

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

8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 86280957) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)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-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID86280957
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC Name8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOc1cccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)c1
InChIInChI=1S/C26H33N3O3S/c1-17-14-29(15-18(2)32-17)24-23-16-31-26(3,4)12-21(23)22(13-27)25(28-24)33-10-9-19-7-6-8-20(11-19)30-5/h6-8,11,17-18H,9-10,12,14-16H2,1-5H3
InChIKeyDGKPAYDCADKTIT-UHFFFAOYSA-N
XLogP4.76
TPSA67.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[2-(3-cyanophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281624
6-[2-(3-hydroxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281362
8-(2,6-dimethylmorpholin-4-yl)-3,3,6-trimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123139717
6-[2-(4-aminophenyl)ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-N-methylsulfonylmethanesulfonamide;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-[2-(3-methylsulfanylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-[2-(3-methylsulfinylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 157160184
6-[2-[3-[[5-cyano-6-[2-(2-methoxyphenyl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-fluorophenyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123536403
8-cyclopropyl-6-[4-[2-(3-methoxyphenyl)acetyl]-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 129169213
3,3-dimethyl-6-methylsulfanyl-8-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 658791
6-(2,6-dimethylmorpholin-4-yl)-5-(hydroxymethyl)-4-(2-methylpropyl)-2-(2-pyridin-3-ylethylsulfanyl)pyridine-3-carbonitrile
CID 123535774
8-benzyl-6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 4555926
3,3-dimethyl-8-morpholin-4-yl-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 1422474
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108900892
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2964834

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)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-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 86280957) is 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is COc1cccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)c1.
What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is DGKPAYDCADKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-17-14-29(15-18(2)32-17)24-23-16-31-26(3,4)12-21(23)22(13-27)25(28-24)33-10-9-19-7-6-8-20(11-19)30-5/h6-8,11,17-18H,9-10,12,14-16H2,1-5H3.
What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 467.64 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 86280957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).