N-[(2S)-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 163380869

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

N-[(2S)-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 163380869) has the molecular formula C19H20F2N4O5 and a molecular weight of 422.39 g/mol. Its IUPAC name is N-[(2S)-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 Name: N-[(2S)-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: 163380869
• Molecular Formula: C19H20F2N4O5
• Molecular Weight: 422.39 g/mol
• Exact Mass: 422.14
• IUPAC Name: N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2ccc(OCc3ccnn3CC(F)F)cc2c1C(=O)N[C@@H](CO)C(N)=O
• InChI: InChI=1S/C19H20F2N4O5/c1-10-17(19(28)24-14(8-26)18(22)27)13-6-12(2-3-15(13)30-10)29-9-11-4-5-23-25(11)7-16(20)21/h2-6,14,16,26H,7-9H2,1H3,(H2,22,27)(H,24,28)/t14-/m0/s1
• InChIKey: FXMJMEASDLDJGD-AWEZNQCLSA-N
• XLogP: 1.36
• TPSA: 132.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.39
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-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 N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide (CID 163380869) is N-[(2S)-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 N-[(2S)-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 N-[(2S)-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)cc2c1C(=O)N[C@@H](CO)C(N)=O.

What is the InChIKey of N-[(2S)-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 FXMJMEASDLDJGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20F2N4O5/c1-10-17(19(28)24-14(8-26)18(22)27)13-6-12(2-3-15(13)30-10)29-9-11-4-5-23-25(11)7-16(20)21/h2-6,14,16,26H,7-9H2,1H3,(H2,22,27)(H,24,28)/t14-/m0/s1.

What are the key properties of N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-5-[[2-(2,2-difluoroethyl)pyrazol-3-yl]methoxy]-2-methyl-1-benzofuran-3-carboxamide?

N-[(2S)-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 1.36, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-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 163380869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).