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

C17H15FN6 — CID 162760825

IUPAC4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCCn1cc(-c2cc(C)nc3[nH]ncc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H15FN6/c1-3-24-9-14(16(23-24)15-5-4-11(18)7-19-15)12-6-10(2)21-17-13(12)8-20-22-17/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyGUDRFSCPFOLJBZ-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.35
Rot. Bonds3

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

4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760825) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760825
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCCn1cc(-c2cc(C)nc3[nH]ncc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H15FN6/c1-3-24-9-14(16(23-24)15-5-4-11(18)7-19-15)12-6-10(2)21-17-13(12)8-20-22-17/h4-9H,3H2,1-2H3,(H,20,21,22)
InChIKeyGUDRFSCPFOLJBZ-UHFFFAOYSA-N
XLogP3.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760825) is 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is CCn1cc(-c2cc(C)nc3[nH]ncc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is GUDRFSCPFOLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c1-3-24-9-14(16(23-24)15-5-4-11(18)7-19-15)12-6-10(2)21-17-13(12)8-20-22-17/h4-9H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 322.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-3-(5-fluoro-2-pyridinyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).