3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C48H60N8O4S2 — CID 144742599

About 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 144742599) has the molecular formula C48H60N8O4S2 and a molecular weight of 877.19 g/mol. Its IUPAC name is 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 144742599
• Molecular Formula: C48H60N8O4S2
• Molecular Weight: 877.19 g/mol
• Exact Mass: 876.42
• IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1(C)Cc2c(C#N)c(SCCc3ccccn3)nc(N3CCOCC3)c2CO1.COCCN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC1
• InChI: InChI=1S/C26H34N4O2S.C22H26N4O2S/c1-26(2)17-21-22(18-27)25(33-16-9-20-7-5-4-6-8-20)28-24(23(21)19-32-26)30-12-10-29(11-13-30)14-15-31-3;1-22(2)13-17-18(14-23)21(29-12-6-16-5-3-4-7-24-16)25-20(19(17)15-28-22)26-8-10-27-11-9-26/h4-8H,9-17,19H2,1-3H3;3-5,7H,6,8-13,15H2,1-2H3
• InChIKey: LIELDZJKAHXTLP-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 132.89 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.19
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 144742599) is 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(SCCc3ccccn3)nc(N3CCOCC3)c2CO1.COCCN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC1.

What is the InChIKey of 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is LIELDZJKAHXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2S.C22H26N4O2S/c1-26(2)17-21-22(18-27)25(33-16-9-20-7-5-4-6-8-20)28-24(23(21)19-32-26)30-12-10-29(11-13-30)14-15-31-3;1-22(2)13-17-18(14-23)21(29-12-6-16-5-3-4-7-24-16)25-20(19(17)15-28-22)26-8-10-27-11-9-26/h4-8H,9-17,19H2,1-3H3;3-5,7H,6,8-13,15H2,1-2H3.

What are the key properties of 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 877.19 g/mol, XLogP of 7.28, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 144742599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).