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

C30H21FN4O — CID 10322573

IUPAC6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccc(OCc4ccccc4)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C30H21FN4O/c31-24-10-6-23(7-11-24)29-28(22-14-16-32-17-15-22)27(26-18-33-35-30(26)34-29)21-8-12-25(13-9-21)36-19-20-4-2-1-3-5-20/h1-18H,19H2,(H,33,34,35)
InChIKeyCBCLWHCBPJAWJK-UHFFFAOYSA-N
MW472.52 g/mol
LogP7.07
Rot. Bonds6

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

6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 10322573) has the molecular formula C30H21FN4O and a molecular weight of 472.52 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
PubChem CID10322573
Molecular FormulaC30H21FN4O
Molecular Weight472.52 g/mol
Exact Mass472.17
IUPAC Name6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2nc3[nH]ncc3c(-c3ccc(OCc4ccccc4)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C30H21FN4O/c31-24-10-6-23(7-11-24)29-28(22-14-16-32-17-15-22)27(26-18-33-35-30(26)34-29)21-8-12-25(13-9-21)36-19-20-4-2-1-3-5-20/h1-18H,19H2,(H,33,34,35)
InChIKeyCBCLWHCBPJAWJK-UHFFFAOYSA-N
XLogP7.07
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine (CID 10322573) is 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2nc3[nH]ncc3c(-c3ccc(OCc4ccccc4)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is CBCLWHCBPJAWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN4O/c31-24-10-6-23(7-11-24)29-28(22-14-16-32-17-15-22)27(26-18-33-35-30(26)34-29)21-8-12-25(13-9-21)36-19-20-4-2-1-3-5-20/h1-18H,19H2,(H,33,34,35).
What are the key properties of 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine?
6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 472.52 g/mol, XLogP of 7.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-yl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 10322573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).