(4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone

C20H15F3N4O3 — CID 163380088

IUPAC(4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)n1cc(N)cn1
InChIInChI=1S/C20H15F3N4O3/c1-11-17(19(28)27-9-13(24)8-26-27)15-7-14(4-5-16(15)30-11)29-10-12-3-2-6-25-18(12)20(21,22)23/h2-9H,10,24H2,1H3
InChIKeyQBOXHFUYQRNWIF-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.20
Rot. Bonds4

About (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone

(4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone (PubChem CID 163380088) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone
PubChem CID163380088
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC Name(4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone
SMILESCc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)n1cc(N)cn1
InChIInChI=1S/C20H15F3N4O3/c1-11-17(19(28)27-9-13(24)8-26-27)15-7-14(4-5-16(15)30-11)29-10-12-3-2-6-25-18(12)20(21,22)23/h2-9H,10,24H2,1H3
InChIKeyQBOXHFUYQRNWIF-UHFFFAOYSA-N
XLogP4.20
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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
5-(benzyloxy)-2-methyl-N-(pyridin-3-yl)-1-benzofuran-3-carboxamide
CID 30544955
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
6-(1,5-dimethylpyrazol-3-yl)-2-(4-fluorophenyl)-5-isopropoxy-N-methyl-benzofuran-3-carboxamide
CID 16073343
N-(2-azaspiro[3.3]heptan-6-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163379941

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone?
The IUPAC name of (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone (CID 163380088) is (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone.
What is the SMILES notation for (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone?
The canonical SMILES for (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone is Cc1oc2ccc(OCc3cccnc3C(F)(F)F)cc2c1C(=O)n1cc(N)cn1.
What is the InChIKey of (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone?
The InChIKey is QBOXHFUYQRNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-11-17(19(28)27-9-13(24)8-26-27)15-7-14(4-5-16(15)30-11)29-10-12-3-2-6-25-18(12)20(21,22)23/h2-9H,10,24H2,1H3.
What are the key properties of (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone?
(4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone has a molecular weight of 416.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone is sourced from PubChem (CID 163380088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).