6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C123H150Cl2FN17O13S5 — CID 161128797

About 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 161128797) has the molecular formula C123H150Cl2FN17O13S5 and a molecular weight of 2324.90 g/mol. Its IUPAC name is 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 161128797
• Molecular Formula: C123H150Cl2FN17O13S5
• Molecular Weight: 2324.90 g/mol
• Exact Mass: 2321.96
• IUPAC Name: 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1(C)Cc2c(C#N)c(SCCc3cccc(F)c3)nc(N3CCOCC3)c2CO1.CC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCCC3CO)c2CO1.COCCN1CCN(c2nc(SCCOc3ccc(Cl)cc3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCOc3cccc(Cl)c3)c(C#N)c3c2COC(C)(C)C3)CC1.COc1cccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)c1
• InChI: InChI=1S/2C26H33ClN4O3S.C24H29N3O3S.C24H29N3O2S.C23H26FN3O2S/c1-26(2)16-21-22(17-28)25(35-15-14-33-20-6-4-19(27)5-7-20)29-24(23(21)18-34-26)31-10-8-30(9-11-31)12-13-32-3;1-26(2)16-21-22(17-28)25(35-14-13-33-20-6-4-5-19(27)15-20)29-24(23(21)18-34-26)31-9-7-30(8-10-31)11-12-32-3;1-24(2)14-19-20(15-25)23(31-12-7-17-5-4-6-18(13-17)28-3)26-22(21(19)16-30-24)27-8-10-29-11-9-27;1-24(2)13-19-20(14-25)23(30-12-10-17-7-4-3-5-8-17)26-22(21(19)16-29-24)27-11-6-9-18(27)15-28;1-23(2)13-18-19(14-25)22(30-11-6-16-4-3-5-17(24)12-16)26-21(20(18)15-29-23)27-7-9-28-10-8-27/h4-7H,8-16,18H2,1-3H3;4-6,15H,7-14,16,18H2,1-3H3;4-6,13H,7-12,14,16H2,1-3H3;3-5,7-8,18,28H,6,9-13,15-16H2,1-2H3;3-5,12H,6-11,13,15H2,1-2H3
• InChIKey: ULXFFIHXZNSABN-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 337.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2324.90
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 161128797) is 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(SCCc3cccc(F)c3)nc(N3CCOCC3)c2CO1.CC1(C)Cc2c(C#N)c(SCCc3ccccc3)nc(N3CCCC3CO)c2CO1.COCCN1CCN(c2nc(SCCOc3ccc(Cl)cc3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCOc3cccc(Cl)c3)c(C#N)c3c2COC(C)(C)C3)CC1.COc1cccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)c1.

What is the InChIKey of 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is ULXFFIHXZNSABN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H33ClN4O3S.C24H29N3O3S.C24H29N3O2S.C23H26FN3O2S/c1-26(2)16-21-22(17-28)25(35-15-14-33-20-6-4-19(27)5-7-20)29-24(23(21)18-34-26)31-10-8-30(9-11-31)12-13-32-3;1-26(2)16-21-22(17-28)25(35-14-13-33-20-6-4-5-19(27)15-20)29-24(23(21)18-34-26)31-9-7-30(8-10-31)11-12-32-3;1-24(2)14-19-20(15-25)23(31-12-7-17-5-4-6-18(13-17)28-3)26-22(21(19)16-30-24)27-8-10-29-11-9-27;1-24(2)13-19-20(14-25)23(30-12-10-17-7-4-3-5-8-17)26-22(21(19)16-29-24)27-11-6-9-18(27)15-28;1-23(2)13-18-19(14-25)22(30-11-6-16-4-3-5-17(24)12-16)26-21(20(18)15-29-23)27-7-9-28-10-8-27/h4-7H,8-16,18H2,1-3H3;4-6,15H,7-14,16,18H2,1-3H3;4-6,13H,7-12,14,16H2,1-3H3;3-5,7-8,18,28H,6,9-13,15-16H2,1-2H3;3-5,12H,6-11,13,15H2,1-2H3.

What are the key properties of 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 2324.90 g/mol, XLogP of 21.00, 35 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 161128797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).