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

C23H25F3N6O2 — CID 121383058

IUPAC1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C2CCOC2)C1
InChIInChI=1S/C23H25F3N6O2/c1-14(33)31-9-7-20-19(12-31)22(29-32(20)17-8-10-34-13-17)27-16-5-3-15(4-6-16)18-11-30(2)28-21(18)23(24,25)26/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,27,29)
InChIKeyHLQZPTAVWSMFAF-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.91
Rot. Bonds4

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

1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121383058) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121383058
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C2CCOC2)C1
InChIInChI=1S/C23H25F3N6O2/c1-14(33)31-9-7-20-19(12-31)22(29-32(20)17-8-10-34-13-17)27-16-5-3-15(4-6-16)18-11-30(2)28-21(18)23(24,25)26/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,27,29)
InChIKeyHLQZPTAVWSMFAF-UHFFFAOYSA-N
XLogP3.91
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone 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 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121383058) is 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C(F)(F)F)cc3)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is HLQZPTAVWSMFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-14(33)31-9-7-20-19(12-31)22(29-32(20)17-8-10-34-13-17)27-16-5-3-15(4-6-16)18-11-30(2)28-21(18)23(24,25)26/h3-6,11,17H,7-10,12-13H2,1-2H3,(H,27,29).
What are the key properties of 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 474.49 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121383058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).