ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C20H14BrFN4O2 — CID 156632355

IUPACethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)n2nc(-c3ccc(Br)cc3F)cc2n1
InChIInChI=1S/C20H14BrFN4O2/c1-2-28-20(27)17-9-18(12-4-3-7-23-11-12)26-19(24-17)10-16(25-26)14-6-5-13(21)8-15(14)22/h3-11H,2H2,1H3
InChIKeyUNLIBKQVVCRADZ-UHFFFAOYSA-N
MW441.26 g/mol
LogP4.54
Rot. Bonds4

About ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 156632355) has the molecular formula C20H14BrFN4O2 and a molecular weight of 441.26 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID156632355
Molecular FormulaC20H14BrFN4O2
Molecular Weight441.26 g/mol
Exact Mass440.03
IUPAC Nameethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)n2nc(-c3ccc(Br)cc3F)cc2n1
InChIInChI=1S/C20H14BrFN4O2/c1-2-28-20(27)17-9-18(12-4-3-7-23-11-12)26-19(24-17)10-16(25-26)14-6-5-13(21)8-15(14)22/h3-11H,2H2,1H3
InChIKeyUNLIBKQVVCRADZ-UHFFFAOYSA-N
XLogP4.54
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-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 3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 21067290
Ethyl 2-(4-bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 1101194
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-[4-(4-Bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600806
2-[(2-Bromo-4-pyridinyl)oxymethyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 155547618
Ethyl 4-(3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)benzoate
CID 162663177
US11186582, Example 231
CID 118471747
US11186582, Example 254
CID 118479702
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 156632355) is ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(-c2cccnc2)n2nc(-c3ccc(Br)cc3F)cc2n1.
What is the InChIKey of ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is UNLIBKQVVCRADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN4O2/c1-2-28-20(27)17-9-18(12-4-3-7-23-11-12)26-19(24-17)10-16(25-26)14-6-5-13(21)8-15(14)22/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 441.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-fluorophenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 156632355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).