1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C21H22N6 — CID 70732300

IUPAC1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCCc3ccccc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C21H22N6/c1-27-21-18(15-24-27)20(25-19(26-21)17-11-7-12-22-14-17)23-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13H2,1H3,(H,23,25,26)
InChIKeyUIQBHXKGDLSNTR-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.86
Rot. Bonds7

About 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70732300) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70732300
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCCCc3ccccc3)nc(-c3cccnc3)nc21
InChIInChI=1S/C21H22N6/c1-27-21-18(15-24-27)20(25-19(26-21)17-11-7-12-22-14-17)23-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13H2,1H3,(H,23,25,26)
InChIKeyUIQBHXKGDLSNTR-UHFFFAOYSA-N
XLogP3.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[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

Related Compounds

N'-(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)-N-pyridin-3-ylethane-1,2-diamine
CID 56891402
1-methyl-6-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 56910147
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707102
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95721786
1-methyl-6-propan-2-yl-N-(3-pyridin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56890560
N-(4-phenylbutyl)-2-pyridin-4-ylquinazolin-4-amine
CID 142682219
1-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 70728202
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
1-methyl-N-[4-[(2R)-oxolan-2-yl]butyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95882613
1-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56882874
1-methyl-6-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56913267
1-methyl-N-[(4-methylphenyl)methyl]-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56892081

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 70732300) is 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCCCc3ccccc3)nc(-c3cccnc3)nc21.
What is the InChIKey of 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UIQBHXKGDLSNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-27-21-18(15-24-27)20(25-19(26-21)17-11-7-12-22-14-17)23-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15H,5-6,10,13H2,1H3,(H,23,25,26).
What are the key properties of 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-phenylbutyl)-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70732300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).