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

C32H25FN4O2 — CID 67014710

IUPAC2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol
SMILESOCCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C32H25FN4O2/c33-26-10-6-25(7-11-26)31-30(24-14-16-34-17-15-24)29(28-20-37(18-19-38)36-32(28)35-31)23-8-12-27(13-9-23)39-21-22-4-2-1-3-5-22/h1-17,20,38H,18-19,21H2
InChIKeyRLKOHMVLMNEIDU-UHFFFAOYSA-N
MW516.58 g/mol
LogP6.54
Rot. Bonds8

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

2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol (PubChem CID 67014710) has the molecular formula C32H25FN4O2 and a molecular weight of 516.58 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol
PubChem CID67014710
Molecular FormulaC32H25FN4O2
Molecular Weight516.58 g/mol
Exact Mass516.20
IUPAC Name2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol
SMILESOCCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C32H25FN4O2/c33-26-10-6-25(7-11-26)31-30(24-14-16-34-17-15-24)29(28-20-37(18-19-38)36-32(28)35-31)23-8-12-27(13-9-23)39-21-22-4-2-1-3-5-22/h1-17,20,38H,18-19,21H2
InChIKeyRLKOHMVLMNEIDU-UHFFFAOYSA-N
XLogP6.54
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.58
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol 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 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol?
The IUPAC name of 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol (CID 67014710) is 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol.
What is the SMILES notation for 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol?
The canonical SMILES for 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol is OCCn1cc2c(-c3ccc(OCc4ccccc4)cc3)c(-c3ccncc3)c(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol?
The InChIKey is RLKOHMVLMNEIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O2/c33-26-10-6-25(7-11-26)31-30(24-14-16-34-17-15-24)29(28-20-37(18-19-38)36-32(28)35-31)23-8-12-27(13-9-23)39-21-22-4-2-1-3-5-22/h1-17,20,38H,18-19,21H2.
What are the key properties of 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol?
2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol has a molecular weight of 516.58 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethanol is sourced from PubChem (CID 67014710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).