5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide

C15H15BrN4O2 — CID 90341110

IUPAC5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccnn2C)oc2cc(NC)c(Br)cc12
InChIInChI=1S/C15H15BrN4O2/c1-17-10-7-12-8(6-9(10)16)13(15(21)18-2)14(22-12)11-4-5-19-20(11)3/h4-7,17H,1-3H3,(H,18,21)
InChIKeyYSNGXCNZQYXIRM-UHFFFAOYSA-N
MW363.22 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide

5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 90341110) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide
PubChem CID90341110
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccnn2C)oc2cc(NC)c(Br)cc12
InChIInChI=1S/C15H15BrN4O2/c1-17-10-7-12-8(6-9(10)16)13(15(21)18-2)14(22-12)11-4-5-19-20(11)3/h4-7,17H,1-3H3,(H,18,21)
InChIKeyYSNGXCNZQYXIRM-UHFFFAOYSA-N
XLogP3.00
TPSA72.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N,2-dimethyl-6-(methylamino)-1-benzofuran-3-carboxamide;ethane
CID 144679717
5-bromo-2-(3,6-dihydro-2H-thiopyran-4-yl)-N-methyl-6-(methylamino)-1-benzofuran-3-carboxamide
CID 144679916
2-(4-fluorophenyl)-N-methyl-5-[3-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275721
5-bromo-2-[6-(4-fluorophenoxy)-3-pyridinyl]-6-hydrazinyl-N-methyl-1-benzofuran-3-carboxamide
CID 163903304
5-bromo-2-(4-fluorophenyl)-N-methyl-6-(3-morpholin-4-ylpropylsulfonylamino)-1-benzofuran-3-carboxamide
CID 67394929
N-[5-bromo-3-propanoyl-2-(2-propan-2-ylpyrazol-3-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide
CID 158619229
2-(4-bromophenyl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
CID 10316448
5-bromo-N-methyl-2-(methylamino)benzamide
CID 130751837
5-bromo-2-(4-fluoro-2-methylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 102364319
5-bromo-6-(dimethylamino)-2-formyl-N-methyl-1-benzofuran-3-carboxamide
CID 144681550
2-(4-fluorophenyl)-5-[2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-6-(methylamino)-1-benzofuran-3-carboxamide
CID 134405324
2-(4-fluorophenyl)-N-methyl-6-(methylamino)-5-(1-pyridin-4-ylindol-5-yl)-1-benzofuran-3-carboxamide
CID 144548267

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide (CID 90341110) is 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccnn2C)oc2cc(NC)c(Br)cc12.
What is the InChIKey of 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide?
The InChIKey is YSNGXCNZQYXIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-17-10-7-12-8(6-9(10)16)13(15(21)18-2)14(22-12)11-4-5-19-20(11)3/h4-7,17H,1-3H3,(H,18,21).
What are the key properties of 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide?
5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-6-(methylamino)-2-(2-methylpyrazol-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 90341110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).