4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

C19H22N6O — CID 155602155

IUPAC4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCCc1ccc(NC(=O)c2nn(C3CCC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H22N6O/c1-2-4-12-7-9-13(10-8-12)23-19(26)16-15-17(20)21-11-22-18(15)25(24-16)14-5-3-6-14/h7-11,14H,2-6H2,1H3,(H,23,26)(H2,20,21,22)
InChIKeyJCZAVCGHIINIPM-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.34
Rot. Bonds5

About 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide

4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 155602155) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID155602155
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCCc1ccc(NC(=O)c2nn(C3CCC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C19H22N6O/c1-2-4-12-7-9-13(10-8-12)23-19(26)16-15-17(20)21-11-22-18(15)25(24-16)14-5-3-6-14/h7-11,14H,2-6H2,1H3,(H,23,26)(H2,20,21,22)
InChIKeyJCZAVCGHIINIPM-UHFFFAOYSA-N
XLogP3.34
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 155602155) is 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is CCCc1ccc(NC(=O)c2nn(C3CCC3)c3ncnc(N)c23)cc1.
What is the InChIKey of 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is JCZAVCGHIINIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-4-12-7-9-13(10-8-12)23-19(26)16-15-17(20)21-11-22-18(15)25(24-16)14-5-3-6-14/h7-11,14H,2-6H2,1H3,(H,23,26)(H2,20,21,22).
What are the key properties of 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 155602155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).