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-dimethylimidazo[4,5-b]pyridin-2-one

C30H36F3N7O4S — CID 23395580

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-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCc1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C30H36F3N7O4S/c1-19-4-9-26-28(34-19)40(29(42)36(26)2)22-10-13-37(14-11-22)16-23(41)17-39-25-12-15-38(45(3,43)44)18-24(25)27(35-39)20-5-7-21(8-6-20)30(31,32)33/h4-9,22-23,41H,10-18H2,1-3H3
InChIKeyZBBTWXZHUJELBL-UHFFFAOYSA-N
MW647.72 g/mol
LogP2.94
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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-2-one (PubChem CID 23395580) has the molecular formula C30H36F3N7O4S and a molecular weight of 647.72 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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-2-one
PubChem CID23395580
Molecular FormulaC30H36F3N7O4S
Molecular Weight647.72 g/mol
Exact Mass647.25
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-dimethylimidazo[4,5-b]pyridin-2-one
SMILESCc1ccc2c(n1)n(C1CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC1)c(=O)n2C
InChIInChI=1S/C30H36F3N7O4S/c1-19-4-9-26-28(34-19)40(29(42)36(26)2)22-10-13-37(14-11-22)16-23(41)17-39-25-12-15-38(45(3,43)44)18-24(25)27(35-39)20-5-7-21(8-6-20)30(31,32)33/h4-9,22-23,41H,10-18H2,1-3H3
InChIKeyZBBTWXZHUJELBL-UHFFFAOYSA-N
XLogP2.94
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500647.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-2-one (CID 23395580) 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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-2-one is Cc1ccc2c(n1)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-dimethylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ZBBTWXZHUJELBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N7O4S/c1-19-4-9-26-28(34-19)40(29(42)36(26)2)22-10-13-37(14-11-22)16-23(41)17-39-25-12-15-38(45(3,43)44)18-24(25)27(35-39)20-5-7-21(8-6-20)30(31,32)33/h4-9,22-23,41H,10-18H2,1-3H3.
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-dimethylimidazo[4,5-b]pyridin-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-dimethylimidazo[4,5-b]pyridin-2-one has a molecular weight of 647.72 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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-dimethylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 23395580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).