1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C18H22N6O — CID 70768629

IUPAC1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2ncnc(N3CCCC(OCc4ccccn4)C3)c12
InChIInChI=1S/C18H22N6O/c1-13-16-17(23(2)22-13)20-12-21-18(16)24-9-5-7-15(10-24)25-11-14-6-3-4-8-19-14/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyHPRASAGXSQLYJT-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.25
Rot. Bonds4

About 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 70768629) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID70768629
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCc1nn(C)c2ncnc(N3CCCC(OCc4ccccn4)C3)c12
InChIInChI=1S/C18H22N6O/c1-13-16-17(23(2)22-13)20-12-21-18(16)24-9-5-7-15(10-24)25-11-14-6-3-4-8-19-14/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyHPRASAGXSQLYJT-UHFFFAOYSA-N
XLogP2.25
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 70768629) is 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cc1nn(C)c2ncnc(N3CCCC(OCc4ccccn4)C3)c12.
What is the InChIKey of 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is HPRASAGXSQLYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-16-17(23(2)22-13)20-12-21-18(16)24-9-5-7-15(10-24)25-11-14-6-3-4-8-19-14/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 338.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 70768629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).