ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C21H24N6O3 — CID 26147355

IUPACethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc(C)nn1C)CC2
InChIInChI=1S/C21H24N6O3/c1-4-30-21(29)19-16-13-26(20(28)18-11-14(2)23-25(18)3)10-8-17(16)27(24-19)12-15-7-5-6-9-22-15/h5-7,9,11H,4,8,10,12-13H2,1-3H3
InChIKeyKEHNGDJHNUFNOJ-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.74
Rot. Bonds5

About ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26147355) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26147355
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Nameethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc(C)nn1C)CC2
InChIInChI=1S/C21H24N6O3/c1-4-30-21(29)19-16-13-26(20(28)18-11-14(2)23-25(18)3)10-8-17(16)27(24-19)12-15-7-5-6-9-22-15/h5-7,9,11H,4,8,10,12-13H2,1-3H3
InChIKeyKEHNGDJHNUFNOJ-UHFFFAOYSA-N
XLogP1.74
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]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 ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26147355) is ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)c1cc(C)nn1C)CC2.
What is the InChIKey of ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is KEHNGDJHNUFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-4-30-21(29)19-16-13-26(20(28)18-11-14(2)23-25(18)3)10-8-17(16)27(24-19)12-15-7-5-6-9-22-15/h5-7,9,11H,4,8,10,12-13H2,1-3H3.
What are the key properties of ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,5-dimethylpyrazole-3-carbonyl)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26147355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).