tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C83H108N10O10S2 — CID 159260920

About tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 159260920) has the molecular formula C83H108N10O10S2 and a molecular weight of 1469.97 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 159260920
• Molecular Formula: C83H108N10O10S2
• Molecular Weight: 1469.97 g/mol
• Exact Mass: 1468.77
• IUPAC Name: tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1CN(c2nc(CCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NC(=O)OC(C)(C)C)cc3)c(C#N)c3c2COC(C(C)C)C3)CC(C)O1.COc1ccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C(C)C)OC3)cc1OC
• InChI: InChI=1S/C31H42N4O4S.C26H33N3O4S.C26H33N3O2/c1-19(2)27-14-24-25(15-32)29(34-28(26(24)18-37-27)35-16-20(3)38-21(4)17-35)40-13-12-22-8-10-23(11-9-22)33-30(36)39-31(5,6)7;1-17(2)23-14-19-20(15-27)26(28-25(21(19)16-33-23)29-8-10-32-11-9-29)34-12-7-18-5-6-22(30-3)24(13-18)31-4;1-18-15-29(16-19(2)31-18)25-23-17-30-26(3,4)13-21(23)22(14-27)24(28-25)12-8-11-20-9-6-5-7-10-20/h8-11,19-21,27H,12-14,16-18H2,1-7H3,(H,33,36);5-6,13,17,23H,7-12,14,16H2,1-4H3;5-7,9-10,18-19H,8,11-13,15-17H2,1-4H3
• InChIKey: KWMLWEREIAHVJH-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 231.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.97
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 159260920) is tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1CN(c2nc(CCCc3ccccc3)c(C#N)c3c2COC(C)(C)C3)CC(C)O1.CC1CN(c2nc(SCCc3ccc(NC(=O)OC(C)(C)C)cc3)c(C#N)c3c2COC(C(C)C)C3)CC(C)O1.COc1ccc(CCSc2nc(N3CCOCC3)c3c(c2C#N)CC(C(C)C)OC3)cc1OC.

What is the InChIKey of tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is KWMLWEREIAHVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O4S.C26H33N3O4S.C26H33N3O2/c1-19(2)27-14-24-25(15-32)29(34-28(26(24)18-37-27)35-16-20(3)38-21(4)17-35)40-13-12-22-8-10-23(11-9-22)33-30(36)39-31(5,6)7;1-17(2)23-14-19-20(15-27)26(28-25(21(19)16-33-23)29-8-10-32-11-9-29)34-12-7-18-5-6-22(30-3)24(13-18)31-4;1-18-15-29(16-19(2)31-18)25-23-17-30-26(3,4)13-21(23)22(14-27)24(28-25)12-8-11-20-9-6-5-7-10-20/h8-11,19-21,27H,12-14,16-18H2,1-7H3,(H,33,36);5-6,13,17,23H,7-12,14,16H2,1-4H3;5-7,9-10,18-19H,8,11-13,15-17H2,1-4H3.

What are the key properties of tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 1469.97 g/mol, XLogP of 15.18, 20 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[2-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl]sulfanyl]ethyl]phenyl]carbamate;6-[2-(3,4-dimethoxyphenyl)ethylsulfanyl]-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile;8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-6-(3-phenylpropyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 159260920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).