N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine

C26H23N5 — CID 5189840

IUPACN,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)c1
InChIInChI=1S/C26H23N5/c1-20-9-8-14-23(15-20)31-26-24(16-29-31)25(27-19-28-26)30(17-21-10-4-2-5-11-21)18-22-12-6-3-7-13-22/h2-16,19H,17-18H2,1H3
InChIKeyMFUYVMPPKYYMIY-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.33
Rot. Bonds6

About N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine

N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 5189840) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID5189840
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC NameN,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)c1
InChIInChI=1S/C26H23N5/c1-20-9-8-14-23(15-20)31-26-24(16-29-31)25(27-19-28-26)30(17-21-10-4-2-5-11-21)18-22-12-6-3-7-13-22/h2-16,19H,17-18H2,1H3
InChIKeyMFUYVMPPKYYMIY-UHFFFAOYSA-N
XLogP5.33
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-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-benzyl-1-(2,5-dimethylphenyl)-N-ethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017316
1-(3-methylphenyl)-N-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866417
N-methyl-1-(3-methylphenyl)-N-(2-pyridin-1-ium-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 4048845
1-(3,5-dimethylphenyl)-N-ethyl-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017634
N-methyl-1-phenyl-N-phenylmethoxypyrazolo[5,4-d]pyrimidin-4-amine
CID 133423276
N-benzyl-1-(4-chloro-2-methylphenyl)-N-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 17017350
N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866423
N-(3,3-diphenylpropyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 8549579
N-ethyl-1-phenyl-N-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133279240
N'-benzyl-N'-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 61013957
N-butyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3704584
4-[[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]diazenyl]methyl]benzoic acid
CID 91340645

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 5189840) is N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine is Cc1cccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)c1.
What is the InChIKey of N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MFUYVMPPKYYMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-20-9-8-14-23(15-20)31-26-24(16-29-31)25(27-19-28-26)30(17-21-10-4-2-5-11-21)18-22-12-6-3-7-13-22/h2-16,19H,17-18H2,1H3.
What are the key properties of N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 405.51 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5189840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).