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

C19H19FN6 — CID 162760921

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(CC(C)C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
InChIInChI=1S/C19H19FN6/c1-11(2)9-26-10-16(18(25-26)17-5-4-13(20)7-21-17)14-6-12(3)23-19-15(14)8-22-24-19/h4-8,10-11H,9H2,1-3H3,(H,22,23,24)
InChIKeyKAMGZBIXYRFHEN-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.99
Rot. Bonds4

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

4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760921) has the molecular formula C19H19FN6 and a molecular weight of 350.40 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760921
Molecular FormulaC19H19FN6
Molecular Weight350.40 g/mol
Exact Mass350.17
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(CC(C)C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1
InChIInChI=1S/C19H19FN6/c1-11(2)9-26-10-16(18(25-26)17-5-4-13(20)7-21-17)14-6-12(3)23-19-15(14)8-22-24-19/h4-8,10-11H,9H2,1-3H3,(H,22,23,24)
InChIKeyKAMGZBIXYRFHEN-UHFFFAOYSA-N
XLogP3.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760921) is 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)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-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is Cc1cc(-c2cn(CC(C)C)nc2-c2ccc(F)cn2)c2cn[nH]c2n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is KAMGZBIXYRFHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6/c1-11(2)9-26-10-16(18(25-26)17-5-4-13(20)7-21-17)14-6-12(3)23-19-15(14)8-22-24-19/h4-8,10-11H,9H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 350.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-(2-methylpropyl)pyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).