1-[4-(5-methyl-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

C31H36F3N5O3S — CID 10145669

IUPAC1-[4-(5-methyl-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
SMILESCc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2c1
InChIInChI=1S/C31H36F3N5O3S/c1-20-3-8-28-25(15-20)26(16-35-28)21-9-12-37(13-10-21)17-24(40)18-39-29-11-14-38(43(2,41)42)19-27(29)30(36-39)22-4-6-23(7-5-22)31(32,33)34/h3-8,15-16,21,24,35,40H,9-14,17-19H2,1-2H3
InChIKeyZSCBNMJQLKCEHO-UHFFFAOYSA-N
MW615.72 g/mol
LogP4.92
Rot. Bonds7

About 1-[4-(5-methyl-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-methyl-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 10145669) has the molecular formula C31H36F3N5O3S and a molecular weight of 615.72 g/mol. Its IUPAC name is 1-[4-(5-methyl-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-methyl-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 CID10145669
Molecular FormulaC31H36F3N5O3S
Molecular Weight615.72 g/mol
Exact Mass615.25
IUPAC Name1-[4-(5-methyl-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
SMILESCc1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2c1
InChIInChI=1S/C31H36F3N5O3S/c1-20-3-8-28-25(15-20)26(16-35-28)21-9-12-37(13-10-21)17-24(40)18-39-29-11-14-38(43(2,41)42)19-27(29)30(36-39)22-4-6-23(7-5-22)31(32,33)34/h3-8,15-16,21,24,35,40H,9-14,17-19H2,1-2H3
InChIKeyZSCBNMJQLKCEHO-UHFFFAOYSA-N
XLogP4.92
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.72
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5-methyl-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-methyl-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-methyl-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 10145669) is 1-[4-(5-methyl-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-methyl-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-methyl-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 Cc1ccc2[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-methyl-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 ZSCBNMJQLKCEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36F3N5O3S/c1-20-3-8-28-25(15-20)26(16-35-28)21-9-12-37(13-10-21)17-24(40)18-39-29-11-14-38(43(2,41)42)19-27(29)30(36-39)22-4-6-23(7-5-22)31(32,33)34/h3-8,15-16,21,24,35,40H,9-14,17-19H2,1-2H3.
What are the key properties of 1-[4-(5-methyl-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-methyl-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 615.72 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-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 10145669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).