1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile

C35H43F3N6O4S2 — CID 69078150

About 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile

1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 69078150) has the molecular formula C35H43F3N6O4S2 and a molecular weight of 732.90 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

• Compound Name: 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile
• PubChem CID: 69078150
• Molecular Formula: C35H43F3N6O4S2
• Molecular Weight: 732.90 g/mol
• Exact Mass: 732.27
• IUPAC Name: 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile
• SMILES: CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCOCC4)c3)nn2CC(O)CN2CCC(C#N)(c3ccccc3)CC2)C1
• InChI: InChI=1S/C35H43F3N6O4S2/c1-50(46,47)43-12-9-31-29(24-43)33(26-7-8-30(35(36,37)38)32(21-26)49-20-17-41-15-18-48-19-16-41)40-44(31)23-28(45)22-42-13-10-34(25-39,11-14-42)27-5-3-2-4-6-27/h2-8,21,28,45H,9-20,22-24H2,1H3
• InChIKey: CNAZBJZVEKSTMY-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 114.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	732.90
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile?

The IUPAC name of 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile (CID 69078150) is 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile.

What is the SMILES notation for 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile?

The canonical SMILES for 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile is CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCOCC4)c3)nn2CC(O)CN2CCC(C#N)(c3ccccc3)CC2)C1.

What is the InChIKey of 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile?

The InChIKey is CNAZBJZVEKSTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43F3N6O4S2/c1-50(46,47)43-12-9-31-29(24-43)33(26-7-8-30(35(36,37)38)32(21-26)49-20-17-41-15-18-48-19-16-41)40-44(31)23-28(45)22-42-13-10-34(25-39,11-14-42)27-5-3-2-4-6-27/h2-8,21,28,45H,9-20,22-24H2,1H3.

What are the key properties of 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile?

1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 732.90 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-morpholin-4-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 69078150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).