methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

C17H20N4O3 — CID 171656041

IUPACmethyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(-c3cn(CC(C)(C)O)nc3C)cc12
InChIInChI=1S/C17H20N4O3/c1-11-14(9-20(19-11)10-17(2,3)23)12-5-6-21-15(7-12)13(8-18-21)16(22)24-4/h5-9,23H,10H2,1-4H3
InChIKeyVZVAARCMOLHDOY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.06
Rot. Bonds4

About methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 171656041) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID171656041
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Namemethyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(-c3cn(CC(C)(C)O)nc3C)cc12
InChIInChI=1S/C17H20N4O3/c1-11-14(9-20(19-11)10-17(2,3)23)12-5-6-21-15(7-12)13(8-18-21)16(22)24-4/h5-9,23H,10H2,1-4H3
InChIKeyVZVAARCMOLHDOY-UHFFFAOYSA-N
XLogP2.06
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate 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 methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 171656041) is methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(-c3cn(CC(C)(C)O)nc3C)cc12.
What is the InChIKey of methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is VZVAARCMOLHDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-14(9-20(19-11)10-17(2,3)23)12-5-6-21-15(7-12)13(8-18-21)16(22)24-4/h5-9,23H,10H2,1-4H3.
What are the key properties of methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 171656041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).