6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine

C29H20FN5O — CID 67014932

IUPAC6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccc(OCc4ccccc4)cc3)c2-c2ccncn2)cc1
InChIInChI=1S/C29H20FN5O/c30-22-10-6-21(7-11-22)28-27(25-14-15-31-18-32-25)26(24-16-33-35-29(24)34-28)20-8-12-23(13-9-20)36-17-19-4-2-1-3-5-19/h1-16,18H,17H2,(H,33,34,35)
InChIKeyBNLAESKXNWHENY-UHFFFAOYSA-N
MW473.51 g/mol
LogP6.47
Rot. Bonds6

About 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine

6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 67014932) has the molecular formula C29H20FN5O and a molecular weight of 473.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine
PubChem CID67014932
Molecular FormulaC29H20FN5O
Molecular Weight473.51 g/mol
Exact Mass473.17
IUPAC Name6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccc(OCc4ccccc4)cc3)c2-c2ccncn2)cc1
InChIInChI=1S/C29H20FN5O/c30-22-10-6-21(7-11-22)28-27(25-14-15-31-18-32-25)26(24-16-33-35-29(24)34-28)20-8-12-23(13-9-20)36-17-19-4-2-1-3-5-19/h1-16,18H,17H2,(H,33,34,35)
InChIKeyBNLAESKXNWHENY-UHFFFAOYSA-N
XLogP6.47
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine (CID 67014932) is 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2nc3[nH]ncc3c(-c3ccc(OCc4ccccc4)cc3)c2-c2ccncn2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is BNLAESKXNWHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN5O/c30-22-10-6-21(7-11-22)28-27(25-14-15-31-18-32-25)26(24-16-33-35-29(24)34-28)20-8-12-23(13-9-20)36-17-19-4-2-1-3-5-19/h1-16,18H,17H2,(H,33,34,35).
What are the key properties of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine?
6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 473.51 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyrimidin-4-yl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67014932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).