1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H24N4O4S — CID 121373354

IUPAC1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(S(C)(=O)=O)c3)nn2C2CCOC2)C1
InChIInChI=1S/C19H24N4O4S/c1-13(24)22-8-6-18-17(11-22)19(21-23(18)15-7-9-27-12-15)20-14-4-3-5-16(10-14)28(2,25)26/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,21)
InChIKeyFNCIPHLZAMYPEO-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121373354) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121373354
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3cccc(S(C)(=O)=O)c3)nn2C2CCOC2)C1
InChIInChI=1S/C19H24N4O4S/c1-13(24)22-8-6-18-17(11-22)19(21-23(18)15-7-9-27-12-15)20-14-4-3-5-16(10-14)28(2,25)26/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,21)
InChIKeyFNCIPHLZAMYPEO-UHFFFAOYSA-N
XLogP1.90
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121373354) is 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(S(C)(=O)=O)c3)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is FNCIPHLZAMYPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13(24)22-8-6-18-17(11-22)19(21-23(18)15-7-9-27-12-15)20-14-4-3-5-16(10-14)28(2,25)26/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 404.49 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylsulfonylanilino)-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121373354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).