N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)

C144H193N21O13S5 — CID 160732524

About N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)

N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile) (PubChem CID 160732524) has the molecular formula C144H193N21O13S5 and a molecular weight of 2586.60 g/mol. Its IUPAC name is N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile).

Molecular Properties

• Compound Name: N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)
• PubChem CID: 160732524
• Molecular Formula: C144H193N21O13S5
• Molecular Weight: 2586.60 g/mol
• Exact Mass: 2584.37
• IUPAC Name: N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)
• SMILES: CC(=O)CCC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CNc1ccc(CCSc2nc(N3CC(C)N(CCOC)C(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.COCCN1C(C)CN(c2nc(SCCc3ccc(C)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.COCCN1C(C)CN(c2nc(SCCc3ccc(C)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C
• InChI: InChI=1S/C30H38N4O4S.C29H41N5O2S.2C29H40N4O2S.C27H34N4O3S/c1-19(35)6-11-27(36)32-23-9-7-22(8-10-23)12-13-39-29-25(15-31)24-14-30(4,5)37-18-26(24)28(33-29)34-16-20(2)38-21(3)17-34;1-20-17-33(18-21(2)34(20)12-13-35-6)27-26-19-36-29(3,4)15-24(26)25(16-30)28(32-27)37-14-11-22-7-9-23(31-5)10-8-22;2*1-20-7-9-23(10-8-20)11-14-36-28-25(16-30)24-15-29(4,5)35-19-26(24)27(31-28)32-17-21(2)33(12-13-34-6)22(3)18-32;1-17-14-31(15-18(2)34-17)25-24-16-33-27(4,5)12-22(24)23(13-28)26(30-25)35-11-10-20-6-8-21(9-7-20)29-19(3)32/h7-10,20-21H,6,11-14,16-18H2,1-5H3,(H,32,36);7-10,20-21,31H,11-15,17-19H2,1-6H3;2*7-10,21-22H,11-15,17-19H2,1-6H3;6-9,17-18H,10-12,14-16H2,1-5H3,(H,29,32)
• InChIKey: RUNMUWKJAAEXPE-UHFFFAOYSA-N
• XLogP: 24.48
• TPSA: 388.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 37
• Rotatable Bonds: 40
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2586.60
LogP ≤ 5	24.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)?

The IUPAC name of N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile) (CID 160732524) is N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile).

What is the SMILES notation for N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)?

The canonical SMILES for N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile) is CC(=O)CCC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CC(=O)Nc1ccc(CCSc2nc(N3CC(C)OC(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.CNc1ccc(CCSc2nc(N3CC(C)N(CCOC)C(C)C3)c3c(c2C#N)CC(C)(C)OC3)cc1.COCCN1C(C)CN(c2nc(SCCc3ccc(C)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.COCCN1C(C)CN(c2nc(SCCc3ccc(C)cc3)c(C#N)c3c2COC(C)(C)C3)CC1C.

What is the InChIKey of N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)?

The InChIKey is RUNMUWKJAAEXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4S.C29H41N5O2S.2C29H40N4O2S.C27H34N4O3S/c1-19(35)6-11-27(36)32-23-9-7-22(8-10-23)12-13-39-29-25(15-31)24-14-30(4,5)37-18-26(24)28(33-29)34-16-20(2)38-21(3)17-34;1-20-17-33(18-21(2)34(20)12-13-35-6)27-26-19-36-29(3,4)15-24(26)25(16-30)28(32-27)37-14-11-22-7-9-23(31-5)10-8-22;2*1-20-7-9-23(10-8-20)11-14-36-28-25(16-30)24-15-29(4,5)35-19-26(24)27(31-28)32-17-21(2)33(12-13-34-6)22(3)18-32;1-17-14-31(15-18(2)34-17)25-24-16-33-27(4,5)12-22(24)23(13-28)26(30-25)35-11-10-20-6-8-21(9-7-20)29-19(3)32/h7-10,20-21H,6,11-14,16-18H2,1-5H3,(H,32,36);7-10,20-21,31H,11-15,17-19H2,1-6H3;2*7-10,21-22H,11-15,17-19H2,1-6H3;6-9,17-18H,10-12,14-16H2,1-5H3,(H,29,32).

What are the key properties of N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile)?

N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile) has a molecular weight of 2586.60 g/mol, XLogP of 24.48, 40 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]acetamide;N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]-4-oxopentanamide;8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-[4-(methylamino)phenyl]ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;bis(8-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-3,3-dimethyl-6-[2-(4-methylphenyl)ethylsulfanyl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile) is sourced from PubChem (CID 160732524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).