3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C22H23N7 — CID 110171471

IUPAC3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2[nH]nc(N3CCN(Cc4ccccc4)CC3)c12
InChIInChI=1S/C22H23N7/c23-19-18-21(25-20(24-19)17-9-5-2-6-10-17)26-27-22(18)29-13-11-28(12-14-29)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H3,23,24,25,26,27)
InChIKeyIBSNRCLIMTVBTO-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.92
Rot. Bonds4

About 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171471) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171471
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccccc2)nc2[nH]nc(N3CCN(Cc4ccccc4)CC3)c12
InChIInChI=1S/C22H23N7/c23-19-18-21(25-20(24-19)17-9-5-2-6-10-17)26-27-22(18)29-13-11-28(12-14-29)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H3,23,24,25,26,27)
InChIKeyIBSNRCLIMTVBTO-UHFFFAOYSA-N
XLogP2.92
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
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CID 171987424
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
4-(4-benzylpiperazin-1-yl)-5-methylpyrimidin-2-amine
CID 80756967
5-(4-benzylpiperazin-1-yl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 10428496
6-(4-benzylpiperazin-1-yl)-5-nitro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 4921381
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 66507575
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 110171471) is 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccccc2)nc2[nH]nc(N3CCN(Cc4ccccc4)CC3)c12.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IBSNRCLIMTVBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c23-19-18-21(25-20(24-19)17-9-5-2-6-10-17)26-27-22(18)29-13-11-28(12-14-29)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H3,23,24,25,26,27).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 385.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-6-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).