2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

C18H22N6O2 — CID 53196741

IUPAC2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H22N6O2/c1-4-23(5-2)17-15-10-21-24(18(15)20-12-19-17)11-16(25)22-13-6-8-14(26-3)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,22,25)
InChIKeyZQENHZNEBGHQPB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.32
Rot. Bonds7

About 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 53196741) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID53196741
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H22N6O2/c1-4-23(5-2)17-15-10-21-24(18(15)20-12-19-17)11-16(25)22-13-6-8-14(26-3)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,22,25)
InChIKeyZQENHZNEBGHQPB-UHFFFAOYSA-N
XLogP2.32
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53196750
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(1-phenylethyl)acetamide
CID 53196767
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 95112936
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 53196804
2-[ethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 86915928
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
N-(4-ethoxyphenyl)-2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 1445511
N-(3,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196598
1-ethyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 1107332
N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 930586
2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 53196741) is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide is CCN(CC)c1ncnc2c1cnn2CC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is ZQENHZNEBGHQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-23(5-2)17-15-10-21-24(18(15)20-12-19-17)11-16(25)22-13-6-8-14(26-3)9-7-13/h6-10,12H,4-5,11H2,1-3H3,(H,22,25).
What are the key properties of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide?
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53196741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).