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

C29H34F3N7O4S — CID 22293629

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-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ncccc21
InChIInChI=1S/C29H34F3N7O4S/c1-35-25-4-3-12-33-27(25)39(28(35)41)21-9-13-36(14-10-21)16-22(40)17-38-24-11-15-37(44(2,42)43)18-23(24)26(34-38)19-5-7-20(8-6-19)29(30,31)32/h3-8,12,21-22,40H,9-11,13-18H2,1-2H3
InChIKeyDXVJMIONXPALQN-UHFFFAOYSA-N
MW633.70 g/mol
LogP2.63
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-methylimidazo[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-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 22293629) has the molecular formula C29H34F3N7O4S and a molecular weight of 633.70 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-methylimidazo[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-methylimidazo[4,5-b]pyridin-2-one
PubChem CID22293629
Molecular FormulaC29H34F3N7O4S
Molecular Weight633.70 g/mol
Exact Mass633.23
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-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ncccc21
InChIInChI=1S/C29H34F3N7O4S/c1-35-25-4-3-12-33-27(25)39(28(35)41)21-9-13-36(14-10-21)16-22(40)17-38-24-11-15-37(44(2,42)43)18-23(24)26(34-38)19-5-7-20(8-6-19)29(30,31)32/h3-8,12,21-22,40H,9-11,13-18H2,1-2H3
InChIKeyDXVJMIONXPALQN-UHFFFAOYSA-N
XLogP2.63
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.70
LogP ≤ 52.63
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-methylimidazo[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]-1-methylimidazo[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-methylimidazo[4,5-b]pyridin-2-one (CID 22293629) 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-methylimidazo[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-methylimidazo[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-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ncccc21.
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-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is DXVJMIONXPALQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N7O4S/c1-35-25-4-3-12-33-27(25)39(28(35)41)21-9-13-36(14-10-21)16-22(40)17-38-24-11-15-37(44(2,42)43)18-23(24)26(34-38)19-5-7-20(8-6-19)29(30,31)32/h3-8,12,21-22,40H,9-11,13-18H2,1-2H3.
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-methylimidazo[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-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 633.70 g/mol, XLogP of 2.63, 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-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 22293629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).