6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine

C18H13FN4O — CID 90095742

IUPAC6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
SMILESCOc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F
InChIInChI=1S/C18H13FN4O/c1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-20-18)12-7-15-16(21-9-12)10-22-23-15/h2-10H,1H3,(H,22,23)
InChIKeyQWSUAQRKWKGCLH-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.83
Rot. Bonds3

About 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine

6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine (PubChem CID 90095742) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
PubChem CID90095742
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
SMILESCOc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F
InChIInChI=1S/C18H13FN4O/c1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-20-18)12-7-15-16(21-9-12)10-22-23-15/h2-10H,1H3,(H,22,23)
InChIKeyQWSUAQRKWKGCLH-UHFFFAOYSA-N
XLogP3.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine (CID 90095742) is 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine is COc1cc(-c2ncccc2-c2cnc3cn[nH]c3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine?
The InChIKey is QWSUAQRKWKGCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-24-17-8-11(4-5-14(17)19)18-13(3-2-6-20-18)12-7-15-16(21-9-12)10-22-23-15/h2-10H,1H3,(H,22,23).
What are the key properties of 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine?
6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine has a molecular weight of 320.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methoxyphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 90095742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).