2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C32H38F4N6O4 — CID 20710944

IUPAC2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC1CCN(C(=O)C(c2ccc(C(F)(F)F)cc2F)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1
InChIInChI=1S/C32H38F4N6O4/c1-20-11-13-41(14-12-20)29(44)27(23-10-9-22(15-24(23)33)32(34,35)36)42-16-26(38-19-42)40-28(43)25(39-30(45)31(2,3)37)18-46-17-21-7-5-4-6-8-21/h4-10,15-16,19-20,25,27H,11-14,17-18,37H2,1-3H3,(H,39,45)(H,40,43)
InChIKeyQGPKSHZJZTUFLC-UHFFFAOYSA-N
MW646.69 g/mol
LogP4.27
Rot. Bonds11

About 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 20710944) has the molecular formula C32H38F4N6O4 and a molecular weight of 646.69 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
PubChem CID20710944
Molecular FormulaC32H38F4N6O4
Molecular Weight646.69 g/mol
Exact Mass646.29
IUPAC Name2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
SMILESCC1CCN(C(=O)C(c2ccc(C(F)(F)F)cc2F)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1
InChIInChI=1S/C32H38F4N6O4/c1-20-11-13-41(14-12-20)29(44)27(23-10-9-22(15-24(23)33)32(34,35)36)42-16-26(38-19-42)40-28(43)25(39-30(45)31(2,3)37)18-46-17-21-7-5-4-6-8-21/h4-10,15-16,19-20,25,27H,11-14,17-18,37H2,1-3H3,(H,39,45)(H,40,43)
InChIKeyQGPKSHZJZTUFLC-UHFFFAOYSA-N
XLogP4.27
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.69
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 20710944) is 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CC1CCN(C(=O)C(c2ccc(C(F)(F)F)cc2F)n2cnc(NC(=O)C(COCc3ccccc3)NC(=O)C(C)(C)N)c2)CC1.
What is the InChIKey of 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
The InChIKey is QGPKSHZJZTUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F4N6O4/c1-20-11-13-41(14-12-20)29(44)27(23-10-9-22(15-24(23)33)32(34,35)36)42-16-26(38-19-42)40-28(43)25(39-30(45)31(2,3)37)18-46-17-21-7-5-4-6-8-21/h4-10,15-16,19-20,25,27H,11-14,17-18,37H2,1-3H3,(H,39,45)(H,40,43).
What are the key properties of 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?
2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 646.69 g/mol, XLogP of 4.27, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 20710944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).