4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

C29H26F2N6 — CID 67013500

IUPAC4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3nn(CCN4CCNCC4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C29H26F2N6/c30-23-5-1-20(2-6-23)26-25-19-37(18-17-36-15-13-33-14-16-36)35-29(25)34-28(22-3-7-24(31)8-4-22)27(26)21-9-11-32-12-10-21/h1-12,19,33H,13-18H2
InChIKeyHAVAOJHJTSQMRJ-UHFFFAOYSA-N
MW496.57 g/mol
LogP5.01
Rot. Bonds6

About 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 67013500) has the molecular formula C29H26F2N6 and a molecular weight of 496.57 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID67013500
Molecular FormulaC29H26F2N6
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3nn(CCN4CCNCC4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C29H26F2N6/c30-23-5-1-20(2-6-23)26-25-19-37(18-17-36-15-13-33-14-16-36)35-29(25)34-28(22-3-7-24(31)8-4-22)27(26)21-9-11-32-12-10-21/h1-12,19,33H,13-18H2
InChIKeyHAVAOJHJTSQMRJ-UHFFFAOYSA-N
XLogP5.01
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.57
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine 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
Avapritinib
CID 118023034
Adipiplon
CID 11198924
Vactosertib
CID 54766013
PP121
CID 24905142
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
Decoglurant
CID 71533696
Tt-301
CID 54576073
Nelociguat
CID 11690019
Unc569
CID 53355503
Ldn-212854
CID 60182388
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (CID 67013500) is 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is Fc1ccc(-c2nc3nn(CCN4CCNCC4)cc3c(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is HAVAOJHJTSQMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N6/c30-23-5-1-20(2-6-23)26-25-19-37(18-17-36-15-13-33-14-16-36)35-29(25)34-28(22-3-7-24(31)8-4-22)27(26)21-9-11-32-12-10-21/h1-12,19,33H,13-18H2.
What are the key properties of 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 496.57 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-2-(2-piperazin-1-ylethyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67013500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).