7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide

C19H15BrN4O2 — CID 46468257

IUPAC7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc4cccc(Br)c4o3)cn2)n1
InChIInChI=1S/C19H15BrN4O2/c1-11-8-12(2)24(23-11)17-7-6-14(10-21-17)22-19(25)16-9-13-4-3-5-15(20)18(13)26-16/h3-10H,1-2H3,(H,22,25)
InChIKeyQWQBYGTZFDFMHX-UHFFFAOYSA-N
MW411.26 g/mol
LogP4.65
Rot. Bonds3

About 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide

7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide (PubChem CID 46468257) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
PubChem CID46468257
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC Name7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cc4cccc(Br)c4o3)cn2)n1
InChIInChI=1S/C19H15BrN4O2/c1-11-8-12(2)24(23-11)17-7-6-14(10-21-17)22-19(25)16-9-13-4-3-5-15(20)18(13)26-16/h3-10H,1-2H3,(H,22,25)
InChIKeyQWQBYGTZFDFMHX-UHFFFAOYSA-N
XLogP4.65
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-(6-imidazol-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 46453605
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122292449
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 46431658
7-bromo-N-quinolin-3-yl-1-benzofuran-2-carboxamide
CID 38938978
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide (CID 46468257) is 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cc4cccc(Br)c4o3)cn2)n1.
What is the InChIKey of 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
The InChIKey is QWQBYGTZFDFMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c1-11-8-12(2)24(23-11)17-7-6-14(10-21-17)22-19(25)16-9-13-4-3-5-15(20)18(13)26-16/h3-10H,1-2H3,(H,22,25).
What are the key properties of 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46468257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).