6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C23H24N6 — CID 27505620

IUPAC6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C23H24N6/c1-16-11-13-18(14-12-16)25-21-20-15-24-29(19-9-3-2-4-10-19)22(20)28-23(27-21)26-17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H2,25,26,27,28)
InChIKeyHPHJQFWNUMSFCD-UHFFFAOYSA-N
MW384.49 g/mol
LogP5.22
Rot. Bonds5

About 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 27505620) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID27505620
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1
InChIInChI=1S/C23H24N6/c1-16-11-13-18(14-12-16)25-21-20-15-24-29(19-9-3-2-4-10-19)22(20)28-23(27-21)26-17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H2,25,26,27,28)
InChIKeyHPHJQFWNUMSFCD-UHFFFAOYSA-N
XLogP5.22
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 27505620) is 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine is Cc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1.
What is the InChIKey of 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is HPHJQFWNUMSFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-16-11-13-18(14-12-16)25-21-20-15-24-29(19-9-3-2-4-10-19)22(20)28-23(27-21)26-17-7-5-6-8-17/h2-4,9-15,17H,5-8H2,1H3,(H2,25,26,27,28).
What are the key properties of 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 384.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-4-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 27505620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).