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

C19H19F3N4O5 — CID 176877119

IUPACN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccnn3CC(F)(F)F)cc2c1C(=O)NC(CO)C(N)=O
InChIInChI=1S/C19H19F3N4O5/c1-10-16(18(29)25-14(7-27)17(23)28)13-6-12(2-3-15(13)31-10)30-8-11-4-5-24-26(11)9-19(20,21)22/h2-6,14,27H,7-9H2,1H3,(H2,23,28)(H,25,29)
InChIKeyHUMVFKUBWAMUFI-UHFFFAOYSA-N
MW440.38 g/mol
LogP1.66
Rot. Bonds8

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

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide (PubChem CID 176877119) has the molecular formula C19H19F3N4O5 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
PubChem CID176877119
Molecular FormulaC19H19F3N4O5
Molecular Weight440.38 g/mol
Exact Mass440.13
IUPAC NameN-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3ccnn3CC(F)(F)F)cc2c1C(=O)NC(CO)C(N)=O
InChIInChI=1S/C19H19F3N4O5/c1-10-16(18(29)25-14(7-27)17(23)28)13-6-12(2-3-15(13)31-10)30-8-11-4-5-24-26(11)9-19(20,21)22/h2-6,14,27H,7-9H2,1H3,(H2,23,28)(H,25,29)
InChIKeyHUMVFKUBWAMUFI-UHFFFAOYSA-N
XLogP1.66
TPSA132.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[[2-(difluoromethyl)-3-pyridinyl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163380991
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379295
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[(2-methyl-1,3-oxazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 175480641
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(4-chloro-1-propan-2-ylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 163379968
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380698
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[(2-chloro-6-fluorophenyl)-dideuteriomethoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129126
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(2-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129124
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[dideuterio-(4-methyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 178129119
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(2,2-difluorocyclopentyl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
CID 170347642
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380738
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380170
ethyl 2-methyl-5-[(2-methylpyrazol-3-yl)methoxy]-1-benzofuran-3-carboxylate
CID 163380072

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(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 176877119) is N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3ccnn3CC(F)(F)F)cc2c1C(=O)NC(CO)C(N)=O.
What is the InChIKey of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is HUMVFKUBWAMUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O5/c1-10-16(18(29)25-14(7-27)17(23)28)13-6-12(2-3-15(13)31-10)30-8-11-4-5-24-26(11)9-19(20,21)22/h2-6,14,27H,7-9H2,1H3,(H2,23,28)(H,25,29).
What are the key properties of N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide?
N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 440.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-2-methyl-5-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 176877119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).