2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

C21H17F3N4O3 — CID 163380040

IUPAC2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C21H17F3N4O3/c1-12-18(20(29)27-14-9-26-28(2)10-14)16-8-15(5-6-17(16)31-12)30-11-13-4-3-7-25-19(13)21(22,23)24/h3-10H,11H2,1-2H3,(H,27,29)
InChIKeyZJUWPUHRSPVKKH-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.72
Rot. Bonds5

About 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide

2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380040) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380040
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)Nc1cnn(C)c1
InChIInChI=1S/C21H17F3N4O3/c1-12-18(20(29)27-14-9-26-28(2)10-14)16-8-15(5-6-17(16)31-12)30-11-13-4-3-7-25-19(13)21(22,23)24/h3-10H,11H2,1-2H3,(H,27,29)
InChIKeyZJUWPUHRSPVKKH-UHFFFAOYSA-N
XLogP4.72
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76318105
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(2-pyridin-2-ylethylcarbamoyl)pyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76328962
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-3-yl]-1,3-diethylpyrazole-5-carboxamide
CID 76332645
N-[(3R,5S)-1-(1-benzofuran-3-carbonyl)-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidin-3-yl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 76332648
3-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)-1-benzofuran-7-carboxamide
CID 49790733
3-[3-methyl-2-[[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]methyl]benzofuran-4-yl]oxy-N-(3-pyridylmethyl)propan-1-amine
CID 510564
5-(benzyloxy)-2-methyl-N-(pyridin-3-yl)-1-benzofuran-3-carboxamide
CID 30544955
5-isopropoxy-N-methyl-2-(4-pyridyl)benzofuran-3-carboxamide
CID 10018268
2-(4-fluorophenyl)-5-isopropoxy-N-methyl-6-(1H-pyrrol-2-yl)benzofuran-3-carboxamide
CID 16073316
2-(4-fluorophenyl)-5-isopropoxy-N-methyl-6-(2-methylpyrazol-3-yl)benzofuran-3-carboxamide
CID 16073326
2-(4-fluorophenyl)-5-isopropoxy-N-methyl-6-(1-methylpyrazol-3-yl)benzofuran-3-carboxamide
CID 16073327
6-(2,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)-5-isopropoxy-N-methyl-benzofuran-3-carboxamide
CID 16073340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide (CID 163380040) is 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)Nc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is ZJUWPUHRSPVKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-12-18(20(29)27-14-9-26-28(2)10-14)16-8-15(5-6-17(16)31-12)30-11-13-4-3-7-25-19(13)21(22,23)24/h3-10H,11H2,1-2H3,(H,27,29).
What are the key properties of 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide?
2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).