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

C20H27N7O — CID 53196804

IUPAC2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N7O/c1-5-26(6-2)19-17-12-24-27(20(17)23-14-22-19)13-18(28)21-11-15-7-9-16(10-8-15)25(3)4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,21,28)
InChIKeyLDVCUSOREVMYTA-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.05
Rot. Bonds8

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

2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 53196804) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID53196804
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCCN(CC)c1ncnc2c1cnn2CC(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C20H27N7O/c1-5-26(6-2)19-17-12-24-27(20(17)23-14-22-19)13-18(28)21-11-15-7-9-16(10-8-15)25(3)4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,21,28)
InChIKeyLDVCUSOREVMYTA-UHFFFAOYSA-N
XLogP2.05
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Zaleplon
CID 5719
Riociguat
CID 11304743
Afimetoran
CID 132271862
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 18
CID 25261231
Pyrazolo pyrimidine, 13
CID 44233160
Pyrazolo pyrimidine, 21
CID 44233389
Pyrazolo pyrimidine, 22
CID 44233390
Methyl 4-[6-[4-(cyclopropylcarbamoylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44233391
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
CID 72163809
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (CID 53196804) is 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is CCN(CC)c1ncnc2c1cnn2CC(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is LDVCUSOREVMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-5-26(6-2)19-17-12-24-27(20(17)23-14-22-19)13-18(28)21-11-15-7-9-16(10-8-15)25(3)4/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,21,28).
What are the key properties of 2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.05, 8 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-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 53196804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).