1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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

C29H33F3N6O4S — CID 10282577

IUPAC1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3cnc4n(O)cccc3-4)CC2)C1
InChIInChI=1S/C29H33F3N6O4S/c1-43(41,42)36-14-10-26-25(18-36)27(20-4-6-21(7-5-20)29(30,31)32)34-37(26)17-22(39)16-35-12-8-19(9-13-35)24-15-33-28-23(24)3-2-11-38(28)40/h2-7,11,15,19,22,39-40H,8-10,12-14,16-18H2,1H3
InChIKeyROHOXTHPKBMNPA-UHFFFAOYSA-N
MW618.68 g/mol
LogP3.67
Rot. Bonds7

About 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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 10282577) has the molecular formula C29H33F3N6O4S and a molecular weight of 618.68 g/mol. Its IUPAC name is 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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 CID10282577
Molecular FormulaC29H33F3N6O4S
Molecular Weight618.68 g/mol
Exact Mass618.22
IUPAC Name1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3cnc4n(O)cccc3-4)CC2)C1
InChIInChI=1S/C29H33F3N6O4S/c1-43(41,42)36-14-10-26-25(18-36)27(20-4-6-21(7-5-20)29(30,31)32)34-37(26)17-22(39)16-35-12-8-19(9-13-35)24-15-33-28-23(24)3-2-11-38(28)40/h2-7,11,15,19,22,39-40H,8-10,12-14,16-18H2,1H3
InChIKeyROHOXTHPKBMNPA-UHFFFAOYSA-N
XLogP3.67
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.68
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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 10282577) is 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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 CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3cnc4n(O)cccc3-4)CC2)C1.
What is the InChIKey of 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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 ROHOXTHPKBMNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N6O4S/c1-43(41,42)36-14-10-26-25(18-36)27(20-4-6-21(7-5-20)29(30,31)32)34-37(26)17-22(39)16-35-12-8-19(9-13-35)24-15-33-28-23(24)3-2-11-38(28)40/h2-7,11,15,19,22,39-40H,8-10,12-14,16-18H2,1H3.
What are the key properties of 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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-(7-hydroxypyrrolo[2,3-b]pyridin-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 618.68 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-hydroxypyrrolo[2,3-b]pyridin-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 10282577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).