4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

C18H19FN4O5 — CID 175480455

IUPAC4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3c(F)cnn3C)c(C(CO)C(N)=O)c2c1C(N)=O
InChIInChI=1S/C18H19FN4O5/c1-8-14(18(21)26)16-13(28-8)4-3-12(15(16)9(6-24)17(20)25)27-7-11-10(19)5-22-23(11)2/h3-5,9,24H,6-7H2,1-2H3,(H2,20,25)(H2,21,26)
InChIKeyMEOLRPMKWOZGNQ-UHFFFAOYSA-N
MW390.37 g/mol
LogP0.85
Rot. Bonds7

About 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide

4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 175480455) has the molecular formula C18H19FN4O5 and a molecular weight of 390.37 g/mol. Its IUPAC name is 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
PubChem CID175480455
Molecular FormulaC18H19FN4O5
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3c(F)cnn3C)c(C(CO)C(N)=O)c2c1C(N)=O
InChIInChI=1S/C18H19FN4O5/c1-8-14(18(21)26)16-13(28-8)4-3-12(15(16)9(6-24)17(20)25)27-7-11-10(19)5-22-23(11)2/h3-5,9,24H,6-7H2,1-2H3,(H2,20,25)(H2,21,26)
InChIKeyMEOLRPMKWOZGNQ-UHFFFAOYSA-N
XLogP0.85
TPSA146.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 175480455) is 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3c(F)cnn3C)c(C(CO)C(N)=O)c2c1C(N)=O.
What is the InChIKey of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is MEOLRPMKWOZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O5/c1-8-14(18(21)26)16-13(28-8)4-3-12(15(16)9(6-24)17(20)25)27-7-11-10(19)5-22-23(11)2/h3-5,9,24H,6-7H2,1-2H3,(H2,20,25)(H2,21,26).
What are the key properties of 4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide?
4-(1-amino-3-hydroxy-1-oxopropan-2-yl)-5-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 0.85, 7 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-[(4-fluoro-1-methylpyrazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).