3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C13H11N7 — CID 58269174

IUPAC3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21
InChIInChI=1S/C13H11N7/c1-20-13-10(12(14)15-6-16-13)11(19-20)7-2-3-8-5-17-18-9(8)4-7/h2-6H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyCDFOPHWFTIBLGR-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.49
Rot. Bonds1

About 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58269174) has the molecular formula C13H11N7 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58269174
Molecular FormulaC13H11N7
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21
InChIInChI=1S/C13H11N7/c1-20-13-10(12(14)15-6-16-13)11(19-20)7-2-3-8-5-17-18-9(8)4-7/h2-6H,1H3,(H,17,18)(H2,14,15,16)
InChIKeyCDFOPHWFTIBLGR-UHFFFAOYSA-N
XLogP1.49
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 58269174) is 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CDFOPHWFTIBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7/c1-20-13-10(12(14)15-6-16-13)11(19-20)7-2-3-8-5-17-18-9(8)4-7/h2-6H,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 265.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58269174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).