4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

C18H17FN6O — CID 162760977

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCOCCn1cc(-c2cc(C)nc3[nH]ncc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C18H17FN6O/c1-11-7-13(14-9-21-23-18(14)22-11)15-10-25(5-6-26-2)24-17(15)16-4-3-12(19)8-20-16/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)
InChIKeyKWUVYZYGWSKVNR-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.98
Rot. Bonds5

About 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760977) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760977
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCOCCn1cc(-c2cc(C)nc3[nH]ncc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C18H17FN6O/c1-11-7-13(14-9-21-23-18(14)22-11)15-10-25(5-6-26-2)24-17(15)16-4-3-12(19)8-20-16/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)
InChIKeyKWUVYZYGWSKVNR-UHFFFAOYSA-N
XLogP2.98
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760977) is 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is COCCn1cc(-c2cc(C)nc3[nH]ncc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is KWUVYZYGWSKVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11-7-13(14-9-21-23-18(14)22-11)15-10-25(5-6-26-2)24-17(15)16-4-3-12(19)8-20-16/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 352.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).