1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

C19H23N5 — CID 3260619

IUPAC1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(N4CCCC(C)C4)ncnc32)c(C)c1
InChIInChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKeyCLQVVBPDAXJGBV-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.67
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine

1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 3260619) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID3260619
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(-n2ncc3c(N4CCCC(C)C4)ncnc32)c(C)c1
InChIInChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKeyCLQVVBPDAXJGBV-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 3260619) is 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(-n2ncc3c(N4CCCC(C)C4)ncnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is CLQVVBPDAXJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13-6-7-17(15(3)9-13)24-19-16(10-22-24)18(20-12-21-19)23-8-4-5-14(2)11-23/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine?
1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 321.43 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3260619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).