3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

C24H15BrF2N4 — CID 10367730

IUPAC3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1nc(Br)c2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C24H15BrF2N4/c1-31-24-21(23(25)30-31)19(14-2-6-17(26)7-3-14)20(15-10-12-28-13-11-15)22(29-24)16-4-8-18(27)9-5-16/h2-13H,1H3
InChIKeyCSFDTTNOOQDEGA-UHFFFAOYSA-N
MW477.31 g/mol
LogP6.41
Rot. Bonds3

About 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 10367730) has the molecular formula C24H15BrF2N4 and a molecular weight of 477.31 g/mol. Its IUPAC name is 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID10367730
Molecular FormulaC24H15BrF2N4
Molecular Weight477.31 g/mol
Exact Mass476.04
IUPAC Name3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1nc(Br)c2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21
InChIInChI=1S/C24H15BrF2N4/c1-31-24-21(23(25)30-31)19(14-2-6-17(26)7-3-14)20(15-10-12-28-13-11-15)22(29-24)16-4-8-18(27)9-5-16/h2-13H,1H3
InChIKeyCSFDTTNOOQDEGA-UHFFFAOYSA-N
XLogP6.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.31
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (CID 10367730) is 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is Cn1nc(Br)c2c(-c3ccc(F)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc21.
What is the InChIKey of 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is CSFDTTNOOQDEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15BrF2N4/c1-31-24-21(23(25)30-31)19(14-2-6-17(26)7-3-14)20(15-10-12-28-13-11-15)22(29-24)16-4-8-18(27)9-5-16/h2-13H,1H3.
What are the key properties of 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 477.31 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,6-bis(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 10367730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).