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

C26H20F2N4 — CID 91105932

IUPAC4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C26H20F2N4/c1-2-15-32-16-22-23(17-3-7-20(27)8-4-17)24(18-11-13-29-14-12-18)25(30-26(22)31-32)19-5-9-21(28)10-6-19/h3-14,16H,2,15H2,1H3
InChIKeyIVEHKRJGCWTYBS-UHFFFAOYSA-N
MW426.47 g/mol
LogP6.52
Rot. Bonds5

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

4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 91105932) has the molecular formula C26H20F2N4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID91105932
Molecular FormulaC26H20F2N4
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C26H20F2N4/c1-2-15-32-16-22-23(17-3-7-20(27)8-4-17)24(18-11-13-29-14-12-18)25(30-26(22)31-32)19-5-9-21(28)10-6-19/h3-14,16H,2,15H2,1H3
InChIKeyIVEHKRJGCWTYBS-UHFFFAOYSA-N
XLogP6.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propanoate
CID 67014442
3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propyl methanesulfonate
CID 87456772
2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol
CID 67014710
butyl N-[1-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethyl]piperidin-4-yl]carbamate
CID 67014981
3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
CID 67014846
2-[2-(4,6-diphenyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl)ethyl]isoindole-1,3-dione
CID 67014083
3-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-1-yl]-N-propylpropanamide
CID 10458546
3-(4-fluorophenyl)-1-propylpyrazole-4-carboxylic acid
CID 61266506
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[3-(4-fluorophenyl)-1-propyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674209
2-(N-ethyl-2-hydroxyanilino)-5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 18767920
5-(4-fluorophenyl)-1-methyl-6-oxo-4-pyridin-4-ylpyrimidine-2-carbonitrile
CID 11197527

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (CID 91105932) is 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is CCCn1cc2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is IVEHKRJGCWTYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4/c1-2-15-32-16-22-23(17-3-7-20(27)8-4-17)24(18-11-13-29-14-12-18)25(30-26(22)31-32)19-5-9-21(28)10-6-19/h3-14,16H,2,15H2,1H3.
What are the key properties of 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 426.47 g/mol, XLogP of 6.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-fluorophenyl)-2-propyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 91105932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).