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

C20H18N8O — CID 52941270

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(-c3cccc4[nH]nc(N)c34)nc3c2cnn3C)c1
InChIInChI=1S/C20H18N8O/c1-28-20-14(10-22-28)19(23-11-5-3-6-12(9-11)29-2)24-18(25-20)13-7-4-8-15-16(13)17(21)27-26-15/h3-10H,1-2H3,(H3,21,26,27)(H,23,24,25)
InChIKeyXAGXYSPGVNPOPA-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.24
Rot. Bonds4

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

6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 52941270) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID52941270
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(-c3cccc4[nH]nc(N)c34)nc3c2cnn3C)c1
InChIInChI=1S/C20H18N8O/c1-28-20-14(10-22-28)19(23-11-5-3-6-12(9-11)29-2)24-18(25-20)13-7-4-8-15-16(13)17(21)27-26-15/h3-10H,1-2H3,(H3,21,26,27)(H,23,24,25)
InChIKeyXAGXYSPGVNPOPA-UHFFFAOYSA-N
XLogP3.24
TPSA119.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-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 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 52941270) is 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(-c3cccc4[nH]nc(N)c34)nc3c2cnn3C)c1.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XAGXYSPGVNPOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-28-20-14(10-22-28)19(23-11-5-3-6-12(9-11)29-2)24-18(25-20)13-7-4-8-15-16(13)17(21)27-26-15/h3-10H,1-2H3,(H3,21,26,27)(H,23,24,25).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 386.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 52941270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).