1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C23H27FN6O2 — CID 121372608

IUPAC1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2CC2COC2)C1
InChIInChI=1S/C23H27FN6O2/c1-14-18(9-25-28(14)3)17-4-5-21(20(24)8-17)26-23-19-11-29(15(2)31)7-6-22(19)30(27-23)10-16-12-32-13-16/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,26,27)
InChIKeySXXSJVHFHSYDAT-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.03
Rot. Bonds5

About 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372608) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372608
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC Name1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2CC2COC2)C1
InChIInChI=1S/C23H27FN6O2/c1-14-18(9-25-28(14)3)17-4-5-21(20(24)8-17)26-23-19-11-29(15(2)31)7-6-22(19)30(27-23)10-16-12-32-13-16/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,26,27)
InChIKeySXXSJVHFHSYDAT-UHFFFAOYSA-N
XLogP3.03
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-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-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372608) is 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2CC2COC2)C1.
What is the InChIKey of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is SXXSJVHFHSYDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-14-18(9-25-28(14)3)17-4-5-21(20(24)8-17)26-23-19-11-29(15(2)31)7-6-22(19)30(27-23)10-16-12-32-13-16/h4-5,8-9,16H,6-7,10-13H2,1-3H3,(H,26,27).
What are the key properties of 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 438.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxetan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).