4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C16H25N7O — CID 53039070

IUPAC4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCCN1CCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C16H25N7O/c1-3-21-4-6-23(7-5-21)16-18-14-13(12-17-20(14)2)15(19-16)22-8-10-24-11-9-22/h12H,3-11H2,1-2H3
InChIKeyFUJKJIXOIFLSLE-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.34
Rot. Bonds3

About 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 53039070) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID53039070
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCCN1CCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C16H25N7O/c1-3-21-4-6-23(7-5-21)16-18-14-13(12-17-20(14)2)15(19-16)22-8-10-24-11-9-22/h12H,3-11H2,1-2H3
InChIKeyFUJKJIXOIFLSLE-UHFFFAOYSA-N
XLogP0.34
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol;hydrochloride
CID 146059668
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
1-methyl-6-(4-propylpiperazin-1-yl)-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795404
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7162577
4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
4-[6-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7216427
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
ethyl (3R)-1-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)piperidine-3-carboxylate
CID 8548589
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 46345391
trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane
CID 174037487
1-methyl-4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 50795405

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 53039070) is 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is CCN1CCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)CC1.
What is the InChIKey of 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is FUJKJIXOIFLSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-3-21-4-6-23(7-5-21)16-18-14-13(12-17-20(14)2)15(19-16)22-8-10-24-11-9-22/h12H,3-11H2,1-2H3.
What are the key properties of 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 331.42 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 53039070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).