2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

C18H18N8O — CID 166197352

IUPAC2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESNc1ncnc2c1ncn2CC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H18N8O/c19-17-16-18(22-11-21-17)25(12-23-16)10-15(27)20-8-6-13-2-4-14(5-3-13)26-9-1-7-24-26/h1-5,7,9,11-12H,6,8,10H2,(H,20,27)(H2,19,21,22)
InChIKeyAGIDUNXSMVVIPK-UHFFFAOYSA-N
MW362.40 g/mol
LogP0.95
Rot. Bonds6

About 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide

2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (PubChem CID 166197352) has the molecular formula C18H18N8O and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
PubChem CID166197352
Molecular FormulaC18H18N8O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
SMILESNc1ncnc2c1ncn2CC(=O)NCCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H18N8O/c19-17-16-18(22-11-21-17)25(12-23-16)10-15(27)20-8-6-13-2-4-14(5-3-13)26-9-1-7-24-26/h1-5,7,9,11-12H,6,8,10H2,(H,20,27)(H2,19,21,22)
InChIKeyAGIDUNXSMVVIPK-UHFFFAOYSA-N
XLogP0.95
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
3-(furan-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102772
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
2-(6-aminopurin-9-yl)-N-(4-bromophenyl)acetamide
CID 62664724
2-(4-methylphenyl)sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 41412961
trans-(1S,2S)-2-[2-(4-pyrazol-1-ylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153839
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 35484545
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
1-prop-2-enyl-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 47140200

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide (CID 166197352) is 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is Nc1ncnc2c1ncn2CC(=O)NCCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
The InChIKey is AGIDUNXSMVVIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8O/c19-17-16-18(22-11-21-17)25(12-23-16)10-15(27)20-8-6-13-2-4-14(5-3-13)26-9-1-7-24-26/h1-5,7,9,11-12H,6,8,10H2,(H,20,27)(H2,19,21,22).
What are the key properties of 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide?
2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide has a molecular weight of 362.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 166197352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).