4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine

C18H21N5 — CID 3756032

IUPAC4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCC1CC(C)CN(c2ncnc3c2cnn3-c2ccccc2)C1
InChIInChI=1S/C18H21N5/c1-13-8-14(2)11-22(10-13)17-16-9-21-23(18(16)20-12-19-17)15-6-4-3-5-7-15/h3-7,9,12-14H,8,10-11H2,1-2H3
InChIKeyDBVCYPVFCZUJDE-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.30
Rot. Bonds2

About 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine

4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (PubChem CID 3756032) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
PubChem CID3756032
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
SMILESCC1CC(C)CN(c2ncnc3c2cnn3-c2ccccc2)C1
InChIInChI=1S/C18H21N5/c1-13-8-14(2)11-22(10-13)17-16-9-21-23(18(16)20-12-19-17)15-6-4-3-5-7-15/h3-7,9,12-14H,8,10-11H2,1-2H3
InChIKeyDBVCYPVFCZUJDE-UHFFFAOYSA-N
XLogP3.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine (CID 3756032) is 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is CC1CC(C)CN(c2ncnc3c2cnn3-c2ccccc2)C1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
The InChIKey is DBVCYPVFCZUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-8-14(2)11-22(10-13)17-16-9-21-23(18(16)20-12-19-17)15-6-4-3-5-7-15/h3-7,9,12-14H,8,10-11H2,1-2H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine?
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine has a molecular weight of 307.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3756032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).