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]-1H-imidazo[4,5-b]pyridin-2-one

C28H32F3N7O4S — CID 10304526

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]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1
InChIInChI=1S/C28H32F3N7O4S/c1-43(41,42)36-14-10-24-22(17-36)25(18-4-6-19(7-5-18)28(29,30)31)34-37(24)16-21(39)15-35-12-8-20(9-13-35)38-26-23(33-27(38)40)3-2-11-32-26/h2-7,11,20-21,39H,8-10,12-17H2,1H3,(H,33,40)
InChIKeyUBASNBVIPXYMIM-UHFFFAOYSA-N
MW619.67 g/mol
LogP2.62
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]-1H-imidazo[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]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 10304526) has the molecular formula C28H32F3N7O4S and a molecular weight of 619.67 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]-1H-imidazo[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]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID10304526
Molecular FormulaC28H32F3N7O4S
Molecular Weight619.67 g/mol
Exact Mass619.22
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]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1
InChIInChI=1S/C28H32F3N7O4S/c1-43(41,42)36-14-10-24-22(17-36)25(18-4-6-19(7-5-18)28(29,30)31)34-37(24)16-21(39)15-35-12-8-20(9-13-35)38-26-23(33-27(38)40)3-2-11-32-26/h2-7,11,20-21,39H,8-10,12-17H2,1H3,(H,33,40)
InChIKeyUBASNBVIPXYMIM-UHFFFAOYSA-N
XLogP2.62
TPSA129.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.67
LogP ≤ 52.62
H-Bond Donors ≤ 52
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]-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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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]-1H-imidazo[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]-1H-imidazo[4,5-b]pyridin-2-one (CID 10304526) 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]-1H-imidazo[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]-1H-imidazo[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]-1H-imidazo[4,5-b]pyridin-2-one is CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(n3c(=O)[nH]c4cccnc43)CC2)C1.
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]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is UBASNBVIPXYMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O4S/c1-43(41,42)36-14-10-24-22(17-36)25(18-4-6-19(7-5-18)28(29,30)31)34-37(24)16-21(39)15-35-12-8-20(9-13-35)38-26-23(33-27(38)40)3-2-11-32-26/h2-7,11,20-21,39H,8-10,12-17H2,1H3,(H,33,40).
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]-1H-imidazo[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]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 619.67 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 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]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10304526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).