3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C24H30FN7O2 — CID 121372624

IUPAC3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C24H30FN7O2/c1-15-18(13-27-30(15)3)16-4-5-21(20(25)12-16)28-23-19-14-31(24(33)26-2)9-6-22(19)32(29-23)17-7-10-34-11-8-17/h4-5,12-13,17H,6-11,14H2,1-3H3,(H,26,33)(H,28,29)
InChIKeyRAXVMGGSJPPZJK-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.52
Rot. Bonds4

About 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121372624) has the molecular formula C24H30FN7O2 and a molecular weight of 467.55 g/mol. Its IUPAC name is 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121372624
Molecular FormulaC24H30FN7O2
Molecular Weight467.55 g/mol
Exact Mass467.24
IUPAC Name3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCNC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2C2CCOCC2)C1
InChIInChI=1S/C24H30FN7O2/c1-15-18(13-27-30(15)3)16-4-5-21(20(25)12-16)28-23-19-14-31(24(33)26-2)9-6-22(19)32(29-23)17-7-10-34-11-8-17/h4-5,12-13,17H,6-11,14H2,1-3H3,(H,26,33)(H,28,29)
InChIKeyRAXVMGGSJPPZJK-UHFFFAOYSA-N
XLogP3.52
TPSA89.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide 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 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 121372624) is 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CNC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is RAXVMGGSJPPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN7O2/c1-15-18(13-27-30(15)3)16-4-5-21(20(25)12-16)28-23-19-14-31(24(33)26-2)9-6-22(19)32(29-23)17-7-10-34-11-8-17/h4-5,12-13,17H,6-11,14H2,1-3H3,(H,26,33)(H,28,29).
What are the key properties of 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121372624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).