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

C20H17BrN4O2 — CID 37032202

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)COc3ccc4ccccc4c3Br)cc12
InChIInChI=1S/C20H17BrN4O2/c1-12-16-9-14(10-22-20(16)25(2)24-12)23-18(26)11-27-17-8-7-13-5-3-4-6-15(13)19(17)21/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyFAYAEOJIPFNVIP-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.21
Rot. Bonds4

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

2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (PubChem CID 37032202) has the molecular formula C20H17BrN4O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
PubChem CID37032202
Molecular FormulaC20H17BrN4O2
Molecular Weight425.29 g/mol
Exact Mass424.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
SMILESCc1nn(C)c2ncc(NC(=O)COc3ccc4ccccc4c3Br)cc12
InChIInChI=1S/C20H17BrN4O2/c1-12-16-9-14(10-22-20(16)25(2)24-12)23-18(26)11-27-17-8-7-13-5-3-4-6-15(13)19(17)21/h3-10H,11H2,1-2H3,(H,23,26)
InChIKeyFAYAEOJIPFNVIP-UHFFFAOYSA-N
XLogP4.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 51334468
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 18151329
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide
CID 31520101
2-(1-bromonaphthalen-2-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 7642319
N-(2-acetamidophenyl)-2-(1-bromonaphthalen-2-yl)oxyacetamide
CID 1300372
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
2-(1-bromonaphthalen-2-yl)oxy-N-(4-chlorophenyl)acetamide
CID 1010815
2-(1-bromonaphthalen-2-yl)oxy-N-(1H-indazol-5-yl)acetamide
CID 55599649
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169791
2-(1-bromonaphthalen-2-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 1299627
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31520021
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide (CID 37032202) is 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is Cc1nn(C)c2ncc(NC(=O)COc3ccc4ccccc4c3Br)cc12.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
The InChIKey is FAYAEOJIPFNVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O2/c1-12-16-9-14(10-22-20(16)25(2)24-12)23-18(26)11-27-17-8-7-13-5-3-4-6-15(13)19(17)21/h3-10H,11H2,1-2H3,(H,23,26).
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide has a molecular weight of 425.29 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)acetamide is sourced from PubChem (CID 37032202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).