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

C27H32N4O2S — CID 86281095

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

8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 86281095) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 86281095
• Molecular Formula: C27H32N4O2S
• Molecular Weight: 476.65 g/mol
• Exact Mass: 476.22
• IUPAC Name: 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1CN(c2nc(SCCc3c[nH]c4ccccc34)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
• InChI: InChI=1S/C27H32N4O2S/c1-17-14-31(15-18(2)33-17)25-23-16-32-27(3,4)11-21(23)22(12-28)26(30-25)34-10-9-19-13-29-24-8-6-5-7-20(19)24/h5-8,13,17-18,29H,9-11,14-16H2,1-4H3
• InChIKey: IWOXTJRONITDCD-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 74.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)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-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 86281095) is 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)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-(1H-indol-3-yl)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-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(SCCc3c[nH]c4ccccc34)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.

What is the InChIKey of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is IWOXTJRONITDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c1-17-14-31(15-18(2)33-17)25-23-16-32-27(3,4)11-21(23)22(12-28)26(30-25)34-10-9-19-13-29-24-8-6-5-7-20(19)24/h5-8,13,17-18,29H,9-11,14-16H2,1-4H3.

What are the key properties of 8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 476.65 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 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-(1H-indol-3-yl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 86281095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).