4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide

C19H20F2N4O5 — CID 175480354

IUPAC4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccnn3CC(F)F)c(C(CO)C(N)=O)c2c1C(N)=O
InChIInChI=1S/C19H20F2N4O5/c1-9-15(19(23)28)17-13(30-9)3-2-12(16(17)11(7-26)18(22)27)29-8-10-4-5-24-25(10)6-14(20)21/h2-5,11,14,26H,6-8H2,1H3,(H2,22,27)(H2,23,28)
InChIKeyYKYIUERNIKOWIV-UHFFFAOYSA-N
MW422.39 g/mol
LogP1.44
Rot. Bonds9

About 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide

4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 175480354) has the molecular formula C19H20F2N4O5 and a molecular weight of 422.39 g/mol. Its IUPAC name is 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID175480354
Molecular FormulaC19H20F2N4O5
Molecular Weight422.39 g/mol
Exact Mass422.14
IUPAC Name4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccnn3CC(F)F)c(C(CO)C(N)=O)c2c1C(N)=O
InChIInChI=1S/C19H20F2N4O5/c1-9-15(19(23)28)17-13(30-9)3-2-12(16(17)11(7-26)18(22)27)29-8-10-4-5-24-25(10)6-14(20)21/h2-5,11,14,26H,6-8H2,1H3,(H2,22,27)(H2,23,28)
InChIKeyYKYIUERNIKOWIV-UHFFFAOYSA-N
XLogP1.44
TPSA146.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163379985
5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163379989
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-1-benzofuran-3-carboxamide
CID 163380014
2-methyl-N-(1-methylpyrazol-4-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380040
(4-Aminopyrazol-1-yl)-[2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-yl]methanone
CID 163380088
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methoxy]-1-benzofuran-3-carboxamide
CID 163380155
5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163380470
N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380483
5-[[3-(difluoromethyl)-2-pyridinyl]methoxy]-N-[4-(hydroxymethyl)oxan-4-yl]-2-methyl-1-benzofuran-3-carboxamide
CID 163380506
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
CID 163380564

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 175480354) is 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccnn3CC(F)F)c(C(CO)C(N)=O)c2c1C(N)=O.
What is the InChIKey of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is YKYIUERNIKOWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O5/c1-9-15(19(23)28)17-13(30-9)3-2-12(16(17)11(7-26)18(22)27)29-8-10-4-5-24-25(10)6-14(20)21/h2-5,11,14,26H,6-8H2,1H3,(H2,22,27)(H2,23,28).
What are the key properties of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide?
4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 422.39 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).