3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol

C33H27FN4O2 — CID 67014846

IUPAC3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
SMILESOCCCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C33H27FN4O2/c34-27-11-7-26(8-12-27)32-31(25-15-17-35-18-16-25)30(29-21-38(19-4-20-39)37-33(29)36-32)24-9-13-28(14-10-24)40-22-23-5-2-1-3-6-23/h1-3,5-18,21,39H,4,19-20,22H2
InChIKeyBDNKMIZJVYJGHU-UHFFFAOYSA-N
MW530.60 g/mol
LogP6.93
Rot. Bonds9

About 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol

3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol (PubChem CID 67014846) has the molecular formula C33H27FN4O2 and a molecular weight of 530.60 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
PubChem CID67014846
Molecular FormulaC33H27FN4O2
Molecular Weight530.60 g/mol
Exact Mass530.21
IUPAC Name3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol
SMILESOCCCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C33H27FN4O2/c34-27-11-7-26(8-12-27)32-31(25-15-17-35-18-16-25)30(29-21-38(19-4-20-39)37-33(29)36-32)24-9-13-28(14-10-24)40-22-23-5-2-1-3-6-23/h1-3,5-18,21,39H,4,19-20,22H2
InChIKeyBDNKMIZJVYJGHU-UHFFFAOYSA-N
XLogP6.93
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.60
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol (CID 67014846) is 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol is OCCCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol?
The InChIKey is BDNKMIZJVYJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27FN4O2/c34-27-11-7-26(8-12-27)32-31(25-15-17-35-18-16-25)30(29-21-38(19-4-20-39)37-33(29)36-32)24-9-13-28(14-10-24)40-22-23-5-2-1-3-6-23/h1-3,5-18,21,39H,4,19-20,22H2.
What are the key properties of 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol?
3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol has a molecular weight of 530.60 g/mol, XLogP of 6.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 67014846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).