N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

C21H24N8 — CID 56932982

IUPACN-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCn1cc(Nc2ncc3cnn(Cc4cccc(N5CCCCC5)c4)c3n2)cn1
InChIInChI=1S/C21H24N8/c1-27-15-18(13-23-27)25-21-22-11-17-12-24-29(20(17)26-21)14-16-6-5-7-19(10-16)28-8-3-2-4-9-28/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,22,25,26)
InChIKeyLPZIDGODUFMKSW-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.34
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine

N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 56932982) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID56932982
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC NameN-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCn1cc(Nc2ncc3cnn(Cc4cccc(N5CCCCC5)c4)c3n2)cn1
InChIInChI=1S/C21H24N8/c1-27-15-18(13-23-27)25-21-22-11-17-12-24-29(20(17)26-21)14-16-6-5-7-19(10-16)28-8-3-2-4-9-28/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,22,25,26)
InChIKeyLPZIDGODUFMKSW-UHFFFAOYSA-N
XLogP3.34
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-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 N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 56932982) is N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine is Cn1cc(Nc2ncc3cnn(Cc4cccc(N5CCCCC5)c4)c3n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is LPZIDGODUFMKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-27-15-18(13-23-27)25-21-22-11-17-12-24-29(20(17)26-21)14-16-6-5-7-19(10-16)28-8-3-2-4-9-28/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,22,25,26).
What are the key properties of N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine?
N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 388.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1-[(3-piperidin-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 56932982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).