1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C23H26FN5O3 — CID 121372614

IUPAC1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4oc(C)nc4C)cc3F)nn2C2CCOC2)C1
InChIInChI=1S/C23H26FN5O3/c1-13-22(32-14(2)25-13)16-4-5-20(19(24)10-16)26-23-18-11-28(15(3)30)8-6-21(18)29(27-23)17-7-9-31-12-17/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,26,27)
InChIKeyZAXBHEUCISMAFP-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.90
Rot. Bonds4

About 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 121372614) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID121372614
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(Nc3ccc(-c4oc(C)nc4C)cc3F)nn2C2CCOC2)C1
InChIInChI=1S/C23H26FN5O3/c1-13-22(32-14(2)25-13)16-4-5-20(19(24)10-16)26-23-18-11-28(15(3)30)8-6-21(18)29(27-23)17-7-9-31-12-17/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,26,27)
InChIKeyZAXBHEUCISMAFP-UHFFFAOYSA-N
XLogP3.90
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-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-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 121372614) is 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-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-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4oc(C)nc4C)cc3F)nn2C2CCOC2)C1.
What is the InChIKey of 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is ZAXBHEUCISMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-13-22(32-14(2)25-13)16-4-5-20(19(24)10-16)26-23-18-11-28(15(3)30)8-6-21(18)29(27-23)17-7-9-31-12-17/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,26,27).
What are the key properties of 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 439.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluoroanilino]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 121372614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).