3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate

C19H18N4O3 — CID 123643122

IUPAC3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESO=C(OCCCc1ccn2ncc(CO)c2c1)c1cnn2ccccc12
InChIInChI=1S/C19H18N4O3/c24-13-15-11-20-23-8-6-14(10-18(15)23)4-3-9-26-19(25)16-12-21-22-7-2-1-5-17(16)22/h1-2,5-8,10-12,24H,3-4,9,13H2
InChIKeyGXIPVMJBQMWPOD-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.26
Rot. Bonds6

About 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate

3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 123643122) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID123643122
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESO=C(OCCCc1ccn2ncc(CO)c2c1)c1cnn2ccccc12
InChIInChI=1S/C19H18N4O3/c24-13-15-11-20-23-8-6-14(10-18(15)23)4-3-9-26-19(25)16-12-21-22-7-2-1-5-17(16)22/h1-2,5-8,10-12,24H,3-4,9,13H2
InChIKeyGXIPVMJBQMWPOD-UHFFFAOYSA-N
XLogP2.26
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl 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

Related Compounds

Pyrazolo(1,5-a)pyridine-3-carboxylic acid
CID 2795462
Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
6-[(2-Phenyl-6-vinylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151150
6-[(6-Methyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151153
6-[[2-Phenyl-6-(propen-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704838
6-[(6-Fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704854
6-[(6-Cyclopropyl-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704858
ethyl 1-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carboxylate
CID 883633
benzyl 1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carboxylate
CID 1288496
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
2-Cyclopentyl-4-pyrazolo[1,5-a]pyridin-3-ylbenzoic acid
CID 164611198
6-[(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704827

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate (CID 123643122) is 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate is O=C(OCCCc1ccn2ncc(CO)c2c1)c1cnn2ccccc12.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GXIPVMJBQMWPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-13-15-11-20-23-8-6-14(10-18(15)23)4-3-9-26-19(25)16-12-21-22-7-2-1-5-17(16)22/h1-2,5-8,10-12,24H,3-4,9,13H2.
What are the key properties of 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate?
3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 123643122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).