1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H25N7 — CID 7162546

IUPAC1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1nc(N2CCN(c3ccccc3)CC2)nc2c1cnn2C
InChIInChI=1S/C23H25N7/c1-17-8-6-7-11-20(17)25-21-19-16-24-28(2)22(19)27-23(26-21)30-14-12-29(13-15-30)18-9-4-3-5-10-18/h3-11,16H,12-15H2,1-2H3,(H,25,26,27)
InChIKeyFHEQSZIMMMSOCD-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.74
Rot. Bonds4

About 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 7162546) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID7162546
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1nc(N2CCN(c3ccccc3)CC2)nc2c1cnn2C
InChIInChI=1S/C23H25N7/c1-17-8-6-7-11-20(17)25-21-19-16-24-28(2)22(19)27-23(26-21)30-14-12-29(13-15-30)18-9-4-3-5-10-18/h3-11,16H,12-15H2,1-2H3,(H,25,26,27)
InChIKeyFHEQSZIMMMSOCD-UHFFFAOYSA-N
XLogP3.74
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Riociguat
CID 11304743
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
N6,N6-dimethyl-N4-[1-(phenylmethyl)-5-indazolyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 6603857
R121919
CID 9821250
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
Nelociguat
CID 11690019
Unc569
CID 53355503
Ldn-212854
CID 60182388
(R)-Zinc-3573
CID 95882507
Amredobresib
CID 76072013
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 7162546) is 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccccc1Nc1nc(N2CCN(c3ccccc3)CC2)nc2c1cnn2C.
What is the InChIKey of 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FHEQSZIMMMSOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-17-8-6-7-11-20(17)25-21-19-16-24-28(2)22(19)27-23(26-21)30-14-12-29(13-15-30)18-9-4-3-5-10-18/h3-11,16H,12-15H2,1-2H3,(H,25,26,27).
What are the key properties of 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 399.50 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7162546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).