6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine

C12H11N5 — CID 96604117

IUPAC6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCc1nc2n[nH]c(-c3ccncc3)c2cc1N
InChIInChI=1S/C12H11N5/c1-7-10(13)6-9-11(16-17-12(9)15-7)8-2-4-14-5-3-8/h2-6H,13H2,1H3,(H,15,16,17)
InChIKeyXJEWYAZVSOCQBX-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.91
Rot. Bonds1

About 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine

6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 96604117) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID96604117
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCc1nc2n[nH]c(-c3ccncc3)c2cc1N
InChIInChI=1S/C12H11N5/c1-7-10(13)6-9-11(16-17-12(9)15-7)8-2-4-14-5-3-8/h2-6H,13H2,1H3,(H,15,16,17)
InChIKeyXJEWYAZVSOCQBX-UHFFFAOYSA-N
XLogP1.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine (CID 96604117) is 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine is Cc1nc2n[nH]c(-c3ccncc3)c2cc1N.
What is the InChIKey of 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is XJEWYAZVSOCQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-7-10(13)6-9-11(16-17-12(9)15-7)8-2-4-14-5-3-8/h2-6H,13H2,1H3,(H,15,16,17).
What are the key properties of 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine?
6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 225.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 96604117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).