2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid

C27H26F4N4O4 — CID 44530234

IUPAC2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CC2(c3ccc(F)cc3)N=C(N)N(CCCc3cccnc3)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25FN4O2.C2HF3O2/c1-32-22-12-6-18(7-13-22)16-25(20-8-10-21(26)11-9-20)23(31)30(24(27)29-25)15-3-5-19-4-2-14-28-17-19;3-2(4,5)1(6)7/h2,4,6-14,17H,3,5,15-16H2,1H3,(H2,27,29);(H,6,7)
InChIKeyVABRXSNYSGGPHX-UHFFFAOYSA-N
MW546.52 g/mol
LogP4.09
Rot. Bonds8

About 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid

2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid (PubChem CID 44530234) has the molecular formula C27H26F4N4O4 and a molecular weight of 546.52 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid
PubChem CID44530234
Molecular FormulaC27H26F4N4O4
Molecular Weight546.52 g/mol
Exact Mass546.19
IUPAC Name2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(CC2(c3ccc(F)cc3)N=C(N)N(CCCc3cccnc3)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25FN4O2.C2HF3O2/c1-32-22-12-6-18(7-13-22)16-25(20-8-10-21(26)11-9-20)23(31)30(24(27)29-25)15-3-5-19-4-2-14-28-17-19;3-2(4,5)1(6)7/h2,4,6-14,17H,3,5,15-16H2,1H3,(H2,27,29);(H,6,7)
InChIKeyVABRXSNYSGGPHX-UHFFFAOYSA-N
XLogP4.09
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.52
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-phenylpropyl)imidazol-4-one
CID 44530118
8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide
CID 110400247
3-[[2-amino-4,4-bis(4-fluorophenyl)-5-oxoimidazol-1-yl]methyl]-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 135154313
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155824655
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
3-pyridin-3-ylpropyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 78772419
3-pyridin-3-ylpropyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 166189696
1'-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine];tris(2,2,2-trifluoroacetic acid)
CID 171696011
1-ethyl-8-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136451

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid (CID 44530234) is 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid is COc1ccc(CC2(c3ccc(F)cc3)N=C(N)N(CCCc3cccnc3)C2=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is VABRXSNYSGGPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2.C2HF3O2/c1-32-22-12-6-18(7-13-22)16-25(20-8-10-21(26)11-9-20)23(31)30(24(27)29-25)15-3-5-19-4-2-14-28-17-19;3-2(4,5)1(6)7/h2,4,6-14,17H,3,5,15-16H2,1H3,(H2,27,29);(H,6,7).
What are the key properties of 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid?
2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 546.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-3-(3-pyridin-3-ylpropyl)imidazol-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44530234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).