ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate

C27H20F2N4O2 — CID 67013605

IUPACethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C27H20F2N4O2/c1-2-35-23(34)16-33-27-22(15-31-33)24(17-3-7-20(28)8-4-17)25(18-11-13-30-14-12-18)26(32-27)19-5-9-21(29)10-6-19/h3-15H,2,16H2,1H3
InChIKeyQBEFQTDSTGFTGS-UHFFFAOYSA-N
MW470.48 g/mol
LogP5.67
Rot. Bonds6

About ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate

ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate (PubChem CID 67013605) has the molecular formula C27H20F2N4O2 and a molecular weight of 470.48 g/mol. Its IUPAC name is ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate
PubChem CID67013605
Molecular FormulaC27H20F2N4O2
Molecular Weight470.48 g/mol
Exact Mass470.16
IUPAC Nameethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1ncc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C27H20F2N4O2/c1-2-35-23(34)16-33-27-22(15-31-33)24(17-3-7-20(28)8-4-17)25(18-11-13-30-14-12-18)26(32-27)19-5-9-21(29)10-6-19/h3-15H,2,16H2,1H3
InChIKeyQBEFQTDSTGFTGS-UHFFFAOYSA-N
XLogP5.67
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate 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

Riociguat
CID 11304743
Vericiguat
CID 54674461
Apy0201
CID 56927660
Nelociguat
CID 11690019
Bay-41-8543
CID 9953906
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo pyrimidine, 5k
CID 25196900
N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
5-[5-Amino-2-[(3-fluoro-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821433
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate (CID 67013605) is ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate is CCOC(=O)Cn1ncc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21.
What is the InChIKey of ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate?
The InChIKey is QBEFQTDSTGFTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2N4O2/c1-2-35-23(34)16-33-27-22(15-31-33)24(17-3-7-20(28)8-4-17)25(18-11-13-30-14-12-18)26(32-27)19-5-9-21(29)10-6-19/h3-15H,2,16H2,1H3.
What are the key properties of ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate?
ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate has a molecular weight of 470.48 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 67013605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).