1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

C15H16N8O2 — CID 32876895

IUPAC1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ncnc21
InChIInChI=1S/C15H16N8O2/c1-20-14-12(9-19-20)15(18-10-17-14)22-6-4-21(5-7-22)11-2-3-13(16-8-11)23(24)25/h2-3,8-10H,4-7H2,1H3
InChIKeyCYENPUFOPKCHTJ-UHFFFAOYSA-N
MW340.35 g/mol
LogP0.99
Rot. Bonds3

About 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 32876895) has the molecular formula C15H16N8O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID32876895
Molecular FormulaC15H16N8O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ncnc21
InChIInChI=1S/C15H16N8O2/c1-20-14-12(9-19-20)15(18-10-17-14)22-6-4-21(5-7-22)11-2-3-13(16-8-11)23(24)25/h2-3,8-10H,4-7H2,1H3
InChIKeyCYENPUFOPKCHTJ-UHFFFAOYSA-N
XLogP0.99
TPSA106.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
(3-methyl-2-nitrophenyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16962649
1-methyl-4-[4-(5-nitro-6-phenyl-2-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 133408642
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
ethane;2-nitro-5-piperidin-1-ylpyridine
CID 142329897
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 16961658
[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone
CID 16962659
6-(6-nitro-3-pyridinyl)-6-azaspiro[2.5]octane
CID 122520396
(2R)-2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 119840120

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 32876895) is 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)ncnc21.
What is the InChIKey of 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is CYENPUFOPKCHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O2/c1-20-14-12(9-19-20)15(18-10-17-14)22-6-4-21(5-7-22)11-2-3-13(16-8-11)23(24)25/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 340.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 32876895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).