3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C23H27N3O3S — CID 86282437

IUPAC3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(S(=O)CCc3ccccc3)nc(N3CCOCC3)c2CO1
InChIInChI=1S/C23H27N3O3S/c1-23(2)14-18-19(15-24)22(30(27)13-8-17-6-4-3-5-7-17)25-21(20(18)16-29-23)26-9-11-28-12-10-26/h3-7H,8-14,16H2,1-2H3
InChIKeyBNMIOJOEXKRCEL-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.99
Rot. Bonds5

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

3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 86282437) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID86282437
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(S(=O)CCc3ccccc3)nc(N3CCOCC3)c2CO1
InChIInChI=1S/C23H27N3O3S/c1-23(2)14-18-19(15-24)22(30(27)13-8-17-6-4-3-5-7-17)25-21(20(18)16-29-23)26-9-11-28-12-10-26/h3-7H,8-14,16H2,1-2H3
InChIKeyBNMIOJOEXKRCEL-UHFFFAOYSA-N
XLogP2.99
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-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
3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
6-[(3,4-dichlorophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3290963
3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid
CID 56698837
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
3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123982145
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20895497
ethyl (2R)-2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]propanoate
CID 1205092
3,3-dimethyl-8-phenyl-6-pyrrolidin-1-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 752329
8-benzyl-6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 4555926
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
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 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 86282437) is 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(S(=O)CCc3ccccc3)nc(N3CCOCC3)c2CO1.
What is the InChIKey of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is BNMIOJOEXKRCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-23(2)14-18-19(15-24)22(30(27)13-8-17-6-4-3-5-7-17)25-21(20(18)16-29-23)26-9-11-28-12-10-26/h3-7H,8-14,16H2,1-2H3.
What are the key properties of 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 425.55 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 86282437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).