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

C14H12N6 — CID 24905209

IUPAC3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21
InChIInChI=1S/C14H12N6/c1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9/h2-7,16H,1H3,(H2,15,17,18)
InChIKeyRUQMPILTACLXOK-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.09
Rot. Bonds1

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

3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905209) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905209
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21
InChIInChI=1S/C14H12N6/c1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9/h2-7,16H,1H3,(H2,15,17,18)
InChIKeyRUQMPILTACLXOK-UHFFFAOYSA-N
XLogP2.09
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905209) is 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RUQMPILTACLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9/h2-7,16H,1H3,(H2,15,17,18).
What are the key properties of 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 264.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).