N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C17H21N7O — CID 73348972

IUPACN-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)c1
InChIInChI=1S/C17H21N7O/c1-23-6-8-24(9-7-23)17-20-15(14-11-18-22-16(14)21-17)19-12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyLOPJVAGARVXXHR-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.86
Rot. Bonds4

About N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 73348972) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID73348972
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC NameN-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)c1
InChIInChI=1S/C17H21N7O/c1-23-6-8-24(9-7-23)17-20-15(14-11-18-22-16(14)21-17)19-12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyLOPJVAGARVXXHR-UHFFFAOYSA-N
XLogP1.86
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 73348972) is N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cccc(Nc2nc(N3CCN(C)CC3)nc3[nH]ncc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LOPJVAGARVXXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-23-6-8-24(9-7-23)17-20-15(14-11-18-22-16(14)21-17)19-12-4-3-5-13(10-12)25-2/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 73348972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).