4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

C16H18N6O — CID 51491376

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H18N6O/c1-23-14-5-3-2-4-13(14)21-6-8-22(9-7-21)16-12-10-19-20-15(12)17-11-18-16/h2-5,10-11H,6-9H2,1H3,(H,17,18,19,20)
InChIKeyTWEVDHVCDXTDPD-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.69
Rot. Bonds3

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 51491376) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID51491376
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C16H18N6O/c1-23-14-5-3-2-4-13(14)21-6-8-22(9-7-21)16-12-10-19-20-15(12)17-11-18-16/h2-5,10-11H,6-9H2,1H3,(H,17,18,19,20)
InChIKeyTWEVDHVCDXTDPD-UHFFFAOYSA-N
XLogP1.69
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-[4-(2-iodophenoxy)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 133337363
1-cyclopentyl-4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123979175
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
1-(2,5-difluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 123351984
2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163352035
5-iodo-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 115620486
9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
CID 163344885

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine (CID 51491376) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is TWEVDHVCDXTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-23-14-5-3-2-4-13(14)21-6-8-22(9-7-21)16-12-10-19-20-15(12)17-11-18-16/h2-5,10-11H,6-9H2,1H3,(H,17,18,19,20).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 51491376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).