2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid

C25H25F3N4O3 — CID 155860808

IUPAC2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CC(=O)N1CCC2(CCn3c(-c4cccnc4)cnc32)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N4O.C2HF3O2/c1-17-5-2-3-6-18(17)13-21(28)26-11-8-23(16-26)9-12-27-20(15-25-22(23)27)19-7-4-10-24-14-19;3-2(4,5)1(6)7/h2-7,10,14-15H,8-9,11-13,16H2,1H3;(H,6,7)
InChIKeyDWVLUZYNEJOFJY-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.00
Rot. Bonds3

About 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid

2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155860808) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID155860808
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CC(=O)N1CCC2(CCn3c(-c4cccnc4)cnc32)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H24N4O.C2HF3O2/c1-17-5-2-3-6-18(17)13-21(28)26-11-8-23(16-26)9-12-27-20(15-25-22(23)27)19-7-4-10-24-14-19;3-2(4,5)1(6)7/h2-7,10,14-15H,8-9,11-13,16H2,1H3;(H,6,7)
InChIKeyDWVLUZYNEJOFJY-UHFFFAOYSA-N
XLogP4.00
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-3-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155833109
2-(4-methylphenyl)-1-[1-(pyridin-3-ylmethyl)spiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155864894
4-[1'-(3-methylbutanoyl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-3-yl]benzamide;2,2,2-trifluoroacetic acid
CID 155826878
5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155856589
1-(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;2,2,2-trifluoroacetic acid
CID 155857877
(4-methylphenyl)-(3-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850799
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155837576
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
4-ethyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 63124786
1-(7-ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-phenylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745942
1-(1-benzylspiro[2H-pyrrolo[3,2-b]pyridine-3,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
CID 171693310
3-(2-methylphenyl)-1-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 155832211

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid (CID 155860808) is 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid is Cc1ccccc1CC(=O)N1CCC2(CCn3c(-c4cccnc4)cnc32)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DWVLUZYNEJOFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C2HF3O2/c1-17-5-2-3-6-18(17)13-21(28)26-11-8-23(16-26)9-12-27-20(15-25-22(23)27)19-7-4-10-24-14-19;3-2(4,5)1(6)7/h2-7,10,14-15H,8-9,11-13,16H2,1H3;(H,6,7).
What are the key properties of 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 486.49 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(3-pyridin-3-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,3'-pyrrolidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).