4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

C21H27N7O2 — CID 7162577

IUPAC4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccccc1N1CCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C21H27N7O2/c1-25-19-16(15-22-25)20(27-11-13-30-14-12-27)24-21(23-19)28-9-7-26(8-10-28)17-5-3-4-6-18(17)29-2/h3-6,15H,7-14H2,1-2H3
InChIKeyWFIQWUQTNIEMJL-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.54
Rot. Bonds4

About 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine

4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (PubChem CID 7162577) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
PubChem CID7162577
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
SMILESCOc1ccccc1N1CCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)CC1
InChIInChI=1S/C21H27N7O2/c1-25-19-16(15-22-25)20(27-11-13-30-14-12-27)24-21(23-19)28-9-7-26(8-10-28)17-5-3-4-6-18(17)29-2/h3-6,15H,7-14H2,1-2H3
InChIKeyWFIQWUQTNIEMJL-UHFFFAOYSA-N
XLogP1.54
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-[6-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 53039070
6-(2,6-dichlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 56689606
4-[6-(4-benzylpiperazin-4-ium-1-yl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 7216427
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
4-[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]morpholine
CID 139592902
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8547141
2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 56883146
6-(4-benzylpiperazin-1-yl)-4-(4-ethylpiperazin-1-yl)-1-methylpyrazolo[5,4-d]pyrimidine;hydrochloride
CID 146059672
N-[(2-methoxyphenyl)methyl]-1-methyl-6-(4-methylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 146059648
trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane
CID 174037487

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine (CID 7162577) is 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is COc1ccccc1N1CCN(c2nc(N3CCOCC3)c3cnn(C)c3n2)CC1.
What is the InChIKey of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is WFIQWUQTNIEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-25-19-16(15-22-25)20(27-11-13-30-14-12-27)24-21(23-19)28-9-7-26(8-10-28)17-5-3-4-6-18(17)29-2/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine?
4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 409.49 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 7162577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).