6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C63H69FN10O6S2 — CID 123150814

About 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 123150814) has the molecular formula C63H69FN10O6S2 and a molecular weight of 1145.44 g/mol. Its IUPAC name is 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 123150814
• Molecular Formula: C63H69FN10O6S2
• Molecular Weight: 1145.44 g/mol
• Exact Mass: 1144.48
• IUPAC Name: 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1(C)Cc2c(C#N)c(CC3(C)Cc4c(C#N)c(SCCc5cc(F)cc(CC6(C)Cc7c(C#N)c(SCCc8c[nH]c9ccccc89)nc(N8CCOCC8)c7CO6)c5)nc(N5CCOCC5)c4CO3)nc(N3CCOCC3)c2CO1
• InChI: InChI=1S/C63H69FN10O6S2/c1-61(2)29-45-48(33-65)55(69-56(51(45)37-78-61)72-11-17-75-18-12-72)32-63(4)31-47-50(35-67)59(70-58(53(47)39-80-63)74-15-21-77-22-16-74)81-23-9-40-25-41(27-43(64)26-40)28-62(3)30-46-49(34-66)60(71-57(52(46)38-79-62)73-13-19-76-20-14-73)82-24-10-42-36-68-54-8-6-5-7-44(42)54/h5-8,25-27,36,68H,9-24,28-32,37-39H2,1-4H3
• InChIKey: PNBSHVYGGUFTLI-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 190.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.44
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 123150814) is 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(CC3(C)Cc4c(C#N)c(SCCc5cc(F)cc(CC6(C)Cc7c(C#N)c(SCCc8c[nH]c9ccccc89)nc(N8CCOCC8)c7CO6)c5)nc(N5CCOCC5)c4CO3)nc(N3CCOCC3)c2CO1.

What is the InChIKey of 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is PNBSHVYGGUFTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H69FN10O6S2/c1-61(2)29-45-48(33-65)55(69-56(51(45)37-78-61)72-11-17-75-18-12-72)32-63(4)31-47-50(35-67)59(70-58(53(47)39-80-63)74-15-21-77-22-16-74)81-23-9-40-25-41(27-43(64)26-40)28-62(3)30-46-49(34-66)60(71-57(52(46)38-79-62)73-13-19-76-20-14-73)82-24-10-42-36-68-54-8-6-5-7-44(42)54/h5-8,25-27,36,68H,9-24,28-32,37-39H2,1-4H3.

What are the key properties of 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 1145.44 g/mol, XLogP of 9.29, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 123150814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).