ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate

C16H13F2N3O2 — CID 58739212

IUPACethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(F)cc2F)c2ncccc12
InChIInChI=1S/C16H13F2N3O2/c1-2-23-16(22)14-12-4-3-7-19-15(12)21(20-14)9-10-5-6-11(17)8-13(10)18/h3-8H,2,9H2,1H3
InChIKeyYMKVQNKNLXFPAO-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.93
Rot. Bonds4

About ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate

ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 58739212) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID58739212
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Nameethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccc(F)cc2F)c2ncccc12
InChIInChI=1S/C16H13F2N3O2/c1-2-23-16(22)14-12-4-3-7-19-15(12)21(20-14)9-10-5-6-11(17)8-13(10)18/h3-8H,2,9H2,1H3
InChIKeyYMKVQNKNLXFPAO-UHFFFAOYSA-N
XLogP2.93
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]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

Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
O3-(2-fluorobenzoyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbohydroximamide
CID 9584170
Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
Ethyl 4-amino-1-benzyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10086715
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
Ethyl 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 21067290
5-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1,3,4-oxadiazol-2(3H)-one
CID 25016454
Ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 777816
methyl 3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 17025734
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate (CID 58739212) is ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(F)cc2F)c2ncccc12.
What is the InChIKey of ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is YMKVQNKNLXFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-2-23-16(22)14-12-4-3-7-19-15(12)21(20-14)9-10-5-6-11(17)8-13(10)18/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate?
ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 317.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 58739212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).