1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

C18H21N5O — CID 935742

IUPAC1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1
InChIInChI=1S/C18H21N5O/c1-13-7-9-22(10-8-13)17-16-11-21-23(18(16)20-12-19-17)14-3-5-15(24-2)6-4-14/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWKGBBISQZMLDOJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 935742) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID935742
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCOc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1
InChIInChI=1S/C18H21N5O/c1-13-7-9-22(10-8-13)17-16-11-21-23(18(16)20-12-19-17)14-3-5-15(24-2)6-4-14/h3-6,11-13H,7-10H2,1-2H3
InChIKeyWKGBBISQZMLDOJ-UHFFFAOYSA-N
XLogP3.06
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 935742) is 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is COc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is WKGBBISQZMLDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-7-9-22(10-8-13)17-16-11-21-23(18(16)20-12-19-17)14-3-5-15(24-2)6-4-14/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 935742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).