4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

C17H16N6O — CID 162760886

IUPAC4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1cccc(-c2nn(C)cc2-c2cc(C)nc3[nH]ncc23)n1
InChIInChI=1S/C17H16N6O/c1-10-7-11(12-8-18-21-17(12)19-10)13-9-23(2)22-16(13)14-5-4-6-15(20-14)24-3/h4-9H,1-3H3,(H,18,19,21)
InChIKeyFLINTADZSYDMAY-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.74
Rot. Bonds3

About 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine

4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760886) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760886
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine
SMILESCOc1cccc(-c2nn(C)cc2-c2cc(C)nc3[nH]ncc23)n1
InChIInChI=1S/C17H16N6O/c1-10-7-11(12-8-18-21-17(12)19-10)13-9-23(2)22-16(13)14-5-4-6-15(20-14)24-3/h4-9H,1-3H3,(H,18,19,21)
InChIKeyFLINTADZSYDMAY-UHFFFAOYSA-N
XLogP2.74
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine (CID 162760886) is 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is COc1cccc(-c2nn(C)cc2-c2cc(C)nc3[nH]ncc23)n1.
What is the InChIKey of 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is FLINTADZSYDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-7-11(12-8-18-21-17(12)19-10)13-9-23(2)22-16(13)14-5-4-6-15(20-14)24-3/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine?
4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 320.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-2-pyridinyl)-1-methylpyrazol-4-yl]-6-methyl-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).