1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol

C31H36F3N5O4S — CID 10168197

IUPAC1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
SMILESCOc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2c1
InChIInChI=1S/C31H36F3N5O4S/c1-43-24-7-8-28-25(15-24)26(16-35-28)20-9-12-37(13-10-20)17-23(40)18-39-29-11-14-38(44(2,41)42)19-27(29)30(36-39)21-3-5-22(6-4-21)31(32,33)34/h3-8,15-16,20,23,35,40H,9-14,17-19H2,1-2H3
InChIKeyZJRXYKCKGMTEGL-UHFFFAOYSA-N
MW631.72 g/mol
LogP4.62
Rot. Bonds8

About 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol

1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol (PubChem CID 10168197) has the molecular formula C31H36F3N5O4S and a molecular weight of 631.72 g/mol. Its IUPAC name is 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
PubChem CID10168197
Molecular FormulaC31H36F3N5O4S
Molecular Weight631.72 g/mol
Exact Mass631.24
IUPAC Name1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol
SMILESCOc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2c1
InChIInChI=1S/C31H36F3N5O4S/c1-43-24-7-8-28-25(15-24)26(16-35-28)20-9-12-37(13-10-20)17-23(40)18-39-29-11-14-38(44(2,41)42)19-27(29)30(36-39)21-3-5-22(6-4-21)31(32,33)34/h3-8,15-16,20,23,35,40H,9-14,17-19H2,1-2H3
InChIKeyZJRXYKCKGMTEGL-UHFFFAOYSA-N
XLogP4.62
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.72
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol 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-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol (CID 10168197) is 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol is COc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2c1.
What is the InChIKey of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
The InChIKey is ZJRXYKCKGMTEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N5O4S/c1-43-24-7-8-28-25(15-24)26(16-35-28)20-9-12-37(13-10-20)17-23(40)18-39-29-11-14-38(44(2,41)42)19-27(29)30(36-39)21-3-5-22(6-4-21)31(32,33)34/h3-8,15-16,20,23,35,40H,9-14,17-19H2,1-2H3.
What are the key properties of 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol?
1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol has a molecular weight of 631.72 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propan-2-ol is sourced from PubChem (CID 10168197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).