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

C17H16N6 — CID 162760926

IUPAC6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(C)nc2-c2ccncc2C)c2cn[nH]c2n1
InChIInChI=1S/C17H16N6/c1-10-7-18-5-4-12(10)16-15(9-23(3)22-16)13-6-11(2)20-17-14(13)8-19-21-17/h4-9H,1-3H3,(H,19,20,21)
InChIKeyZJUZFIXUYWIUCK-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.04
Rot. Bonds2

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

6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760926) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760926
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCc1cc(-c2cn(C)nc2-c2ccncc2C)c2cn[nH]c2n1
InChIInChI=1S/C17H16N6/c1-10-7-18-5-4-12(10)16-15(9-23(3)22-16)13-6-11(2)20-17-14(13)8-19-21-17/h4-9H,1-3H3,(H,19,20,21)
InChIKeyZJUZFIXUYWIUCK-UHFFFAOYSA-N
XLogP3.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine (CID 162760926) is 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine is Cc1cc(-c2cn(C)nc2-c2ccncc2C)c2cn[nH]c2n1.
What is the InChIKey of 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is ZJUZFIXUYWIUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-10-7-18-5-4-12(10)16-15(9-23(3)22-16)13-6-11(2)20-17-14(13)8-19-21-17/h4-9H,1-3H3,(H,19,20,21).
What are the key properties of 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 304.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).