1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

C22H30N8 — CID 71687844

IUPAC1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCN(C)CC4)nc32)cc1
InChIInChI=1S/C22H30N8/c1-17-6-8-18(9-7-17)30-21-19(16-23-30)20(28-10-4-3-5-11-28)24-22(25-21)26-29-14-12-27(2)13-15-29/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,25,26)
InChIKeyPDHTZQCVLYMGPU-UHFFFAOYSA-N
MW406.54 g/mol
LogP2.69
Rot. Bonds4

About 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 71687844) has the molecular formula C22H30N8 and a molecular weight of 406.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID71687844
Molecular FormulaC22H30N8
Molecular Weight406.54 g/mol
Exact Mass406.26
IUPAC Name1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCN(C)CC4)nc32)cc1
InChIInChI=1S/C22H30N8/c1-17-6-8-18(9-7-17)30-21-19(16-23-30)20(28-10-4-3-5-11-28)24-22(25-21)26-29-14-12-27(2)13-15-29/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,25,26)
InChIKeyPDHTZQCVLYMGPU-UHFFFAOYSA-N
XLogP2.69
TPSA65.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 71687844) is 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccc(-n2ncc3c(N4CCCCC4)nc(NN4CCN(C)CC4)nc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is PDHTZQCVLYMGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8/c1-17-6-8-18(9-7-17)30-21-19(16-23-30)20(28-10-4-3-5-11-28)24-22(25-21)26-29-14-12-27(2)13-15-29/h6-9,16H,3-5,10-15H2,1-2H3,(H,24,25,26).
What are the key properties of 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 406.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 71687844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).