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

C31H37F3N6O4S — CID 10211615

IUPAC3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(c1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C31H37F3N6O4S/c1-20-4-9-27-28(16-20)40(30(42)36(27)2)23-10-13-37(14-11-23)17-24(41)18-39-26-12-15-38(45(3,43)44)19-25(26)29(35-39)21-5-7-22(8-6-21)31(32,33)34/h4-9,16,23-24,41H,10-15,17-19H2,1-3H3
InChIKeyUGLKTMABKZLPJO-UHFFFAOYSA-N
MW646.74 g/mol
LogP3.55
Rot. Bonds7

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

3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one (PubChem CID 10211615) has the molecular formula C31H37F3N6O4S and a molecular weight of 646.74 g/mol. Its IUPAC name is 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one
PubChem CID10211615
Molecular FormulaC31H37F3N6O4S
Molecular Weight646.74 g/mol
Exact Mass646.25
IUPAC Name3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(c1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C31H37F3N6O4S/c1-20-4-9-27-28(16-20)40(30(42)36(27)2)23-10-13-37(14-11-23)17-24(41)18-39-26-12-15-38(45(3,43)44)19-25(26)29(35-39)21-5-7-22(8-6-21)31(32,33)34/h4-9,16,23-24,41H,10-15,17-19H2,1-3H3
InChIKeyUGLKTMABKZLPJO-UHFFFAOYSA-N
XLogP3.55
TPSA105.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.74
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one 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 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one?
The IUPAC name of 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one (CID 10211615) is 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one?
The canonical SMILES for 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one is Cc1ccc2c(c1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C.
What is the InChIKey of 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one?
The InChIKey is UGLKTMABKZLPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N6O4S/c1-20-4-9-27-28(16-20)40(30(42)36(27)2)23-10-13-37(14-11-23)17-24(41)18-39-26-12-15-38(45(3,43)44)19-25(26)29(35-39)21-5-7-22(8-6-21)31(32,33)34/h4-9,16,23-24,41H,10-15,17-19H2,1-3H3.
What are the key properties of 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one?
3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one has a molecular weight of 646.74 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1,5-dimethylbenzimidazol-2-one is sourced from PubChem (CID 10211615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).