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

C17H15FN6 — CID 162760835

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c2c(C)[nH]nc2n1
InChIInChI=1S/C17H15FN6/c1-9-6-12(15-10(2)21-22-17(15)20-9)13-8-24(3)23-16(13)14-5-4-11(18)7-19-14/h4-8H,1-3H3,(H,20,21,22)
InChIKeyAUZGUDZKWVLPFP-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.18
Rot. Bonds2

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

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162760835) has the molecular formula C17H15FN6 and a molecular weight of 322.35 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
PubChem CID162760835
Molecular FormulaC17H15FN6
Molecular Weight322.35 g/mol
Exact Mass322.13
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c2c(C)[nH]nc2n1
InChIInChI=1S/C17H15FN6/c1-9-6-12(15-10(2)21-22-17(15)20-9)13-8-24(3)23-16(13)14-5-4-11(18)7-19-14/h4-8H,1-3H3,(H,20,21,22)
InChIKeyAUZGUDZKWVLPFP-UHFFFAOYSA-N
XLogP3.18
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine (CID 162760835) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine is Cc1cc(-c2cn(C)nc2-c2ccc(F)cn2)c2c(C)[nH]nc2n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AUZGUDZKWVLPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6/c1-9-6-12(15-10(2)21-22-17(15)20-9)13-8-24(3)23-16(13)14-5-4-11(18)7-19-14/h4-8H,1-3H3,(H,20,21,22).
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 322.35 g/mol, XLogP of 3.18, 2 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-methylpyrazol-4-yl]-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).