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

C34H49F3N6O5S2 — CID 69079653

IUPAC[1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CC(O)CN2CCC(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C34H49F3N6O5S2/c1-50(46,47)42-14-9-30-28(24-42)32(26-5-6-29(34(35,36)37)31(21-26)49-20-17-39-10-3-2-4-11-39)38-43(30)23-27(44)22-40-12-7-25(8-13-40)33(45)41-15-18-48-19-16-41/h5-6,21,25,27,44H,2-4,7-20,22-24H2,1H3
InChIKeyLDIIBXZHTYUNAN-UHFFFAOYSA-N
MW742.93 g/mol
LogP3.40
Rot. Bonds11

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

[1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 69079653) has the molecular formula C34H49F3N6O5S2 and a molecular weight of 742.93 g/mol. Its IUPAC name is [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID69079653
Molecular FormulaC34H49F3N6O5S2
Molecular Weight742.93 g/mol
Exact Mass742.32
IUPAC Name[1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CC(O)CN2CCC(C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C34H49F3N6O5S2/c1-50(46,47)42-14-9-30-28(24-42)32(26-5-6-29(34(35,36)37)31(21-26)49-20-17-39-10-3-2-4-11-39)38-43(30)23-27(44)22-40-12-7-25(8-13-40)33(45)41-15-18-48-19-16-41/h5-6,21,25,27,44H,2-4,7-20,22-24H2,1H3
InChIKeyLDIIBXZHTYUNAN-UHFFFAOYSA-N
XLogP3.40
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500742.93
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 69079653) is [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone is CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CC(O)CN2CCC(C(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LDIIBXZHTYUNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49F3N6O5S2/c1-50(46,47)42-14-9-30-28(24-42)32(26-5-6-29(34(35,36)37)31(21-26)49-20-17-39-10-3-2-4-11-39)38-43(30)23-27(44)22-40-12-7-25(8-13-40)33(45)41-15-18-48-19-16-41/h5-6,21,25,27,44H,2-4,7-20,22-24H2,1H3.
What are the key properties of [1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[2-hydroxy-3-[5-methylsulfonyl-3-[3-(2-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 742.93 g/mol, XLogP of 3.40, 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-piperidin-1-ylethylsulfanyl)-4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 69079653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).