2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

C16H15BrN4O2 — CID 51334468

IUPAC2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)COc3ccc(Br)cc3)cc12
InChIInChI=1S/C16H15BrN4O2/c1-10-14-7-12(8-18-16(14)21(2)20-10)19-15(22)9-23-13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyVOQCLLXMZBYHHW-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.06
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide

2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 51334468) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID51334468
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)COc3ccc(Br)cc3)cc12
InChIInChI=1S/C16H15BrN4O2/c1-10-14-7-12(8-18-16(14)21(2)20-10)19-15(22)9-23-13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyVOQCLLXMZBYHHW-UHFFFAOYSA-N
XLogP3.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 37032202
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
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N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(4-fluorophenyl)propanamide
CID 51334598
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 31520101
5-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylpentanamide
CID 82011025
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2,4-dimethoxybenzamide
CID 46538295
2-[1-(aminomethyl)cyclobutyl]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 81171959
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
CID 60850378
2-(2-chlorophenyl)sulfanyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334528
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridin-3-ylpropanamide
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2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 51334468) is 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is Cc1nn(C)c2ncc(NC(=O)COc3ccc(Br)cc3)cc12.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is VOQCLLXMZBYHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-10-14-7-12(8-18-16(14)21(2)20-10)19-15(22)9-23-13-5-3-11(17)4-6-13/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 375.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 51334468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).