N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C27H25N5 — CID 8549579

IUPACN-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)c1
InChIInChI=1S/C27H25N5/c1-20-9-8-14-23(17-20)32-27-25(18-31-32)26(29-19-30-27)28-16-15-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17-19,24H,15-16H2,1H3,(H,28,29,30)
InChIKeyAWKBXDWEJAMGIA-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.76
Rot. Bonds7

About N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 8549579) has the molecular formula C27H25N5 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID8549579
Molecular FormulaC27H25N5
Molecular Weight419.53 g/mol
Exact Mass419.21
IUPAC NameN-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)c1
InChIInChI=1S/C27H25N5/c1-20-9-8-14-23(17-20)32-27-25(18-31-32)26(29-19-30-27)28-16-15-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17-19,24H,15-16H2,1H3,(H,28,29,30)
InChIKeyAWKBXDWEJAMGIA-UHFFFAOYSA-N
XLogP5.76
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[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

1-(3-methylphenyl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866417
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866423
4-[[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzene-1,2-diol
CID 70986581
N-cyclohexyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866420
N-(3-chloro-4-methylphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 4531059
dimethyl-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]azanium
CID 6953713
(1R)-1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 41077002
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 17401866
1-(3-chloro-4-methylphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 51476768
N-(2,2-dimethylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 61168228
1-(3-bromophenyl)-N-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432149

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 8549579) is N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1cccc(-n2ncc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is AWKBXDWEJAMGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5/c1-20-9-8-14-23(17-20)32-27-25(18-31-32)26(29-19-30-27)28-16-15-24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17-19,24H,15-16H2,1H3,(H,28,29,30).
What are the key properties of N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 419.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 8549579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).