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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Related Compounds

4-amino-N-[4-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 170206782
4-amino-N-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 170206780
4-amino-6-bromo-7-(1-methylcyclopropyl)-N-(4-propylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 155602149
4-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]-3-methoxyphenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 130275764
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
4-amino-1-[(1R,2S)-2-methylcyclopentyl]pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
CID 140834541
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-propan-2-ylbenzamide
CID 126717910
1-[(3R)-3-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]butan-1-one
CID 134259429
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
CID 56944373
4-amino-N-[4-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-methylphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 130276368
4-amino-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 169224476
4-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]-2,3-dimethylphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 130275857

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).