4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C19H23N5O — CID 86808264

IUPAC4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(OC2CCN(c3ncnc4c3cnn4C)CC2)cc1C
InChIInChI=1S/C19H23N5O/c1-13-4-5-16(10-14(13)2)25-15-6-8-24(9-7-15)19-17-11-22-23(3)18(17)20-12-21-19/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyUOGCNWYVPMZZIR-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 86808264) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID86808264
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(OC2CCN(c3ncnc4c3cnn4C)CC2)cc1C
InChIInChI=1S/C19H23N5O/c1-13-4-5-16(10-14(13)2)25-15-6-8-24(9-7-15)19-17-11-22-23(3)18(17)20-12-21-19/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyUOGCNWYVPMZZIR-UHFFFAOYSA-N
XLogP3.03
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 86808264) is 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cc1ccc(OC2CCN(c3ncnc4c3cnn4C)CC2)cc1C.
What is the InChIKey of 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is UOGCNWYVPMZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-4-5-16(10-14(13)2)25-15-6-8-24(9-7-15)19-17-11-22-23(3)18(17)20-12-21-19/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 337.43 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 86808264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).