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

C52H62FN7O4S2 — CID 144742606

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-(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-(3-fluorophenyl)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 144742606) has the molecular formula C52H62FN7O4S2 and a molecular weight of 932.24 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;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-(3-fluorophenyl)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: 144742606
• Molecular Formula: C52H62FN7O4S2
• Molecular Weight: 932.24 g/mol
• Exact Mass: 931.43
• IUPAC Name: 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-(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.CC1CN(c2nc(SCCc3cccc(F)c3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1
• InChI: InChI=1S/C27H32N4O2S.C25H30FN3O2S/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;1-16-13-29(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/h5-8,13,17-18,29H,9-11,14-16H2,1-4H3;5-7,10,16-17H,8-9,11,13-15H2,1-4H3
• InChIKey: LZRDJFVVIGTVBL-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 132.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	932.24
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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;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-(3-fluorophenyl)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 (CID 144742606) is 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-(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-(3-fluorophenyl)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?

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;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.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;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 LZRDJFVVIGTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S.C25H30FN3O2S/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;1-16-13-29(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/h5-8,13,17-18,29H,9-11,14-16H2,1-4H3;5-7,10,16-17H,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-(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-(3-fluorophenyl)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 932.24 g/mol, XLogP of 10.13, 10 rotatable bonds, 1 hydrogen bond donors, and 12 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;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 144742606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).