furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid

C26H25F3N4O5 — CID 155843677

IUPACfuran-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cccc3nc(C4CN(C(=O)c5ccoc5)CCN4C)cn23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N4O3.C2HF3O2/c1-26-11-12-27(24(29)18-10-13-31-16-18)15-22(26)20-14-28-21(4-3-5-23(28)25-20)17-6-8-19(30-2)9-7-17;3-2(4,5)1(6)7/h3-10,13-14,16,22H,11-12,15H2,1-2H3;(H,6,7)
InChIKeyMTMYFSOQIODRIF-UHFFFAOYSA-N
MW530.50 g/mol
LogP4.37
Rot. Bonds4

About furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid

furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155843677) has the molecular formula C26H25F3N4O5 and a molecular weight of 530.50 g/mol. Its IUPAC name is furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namefuran-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155843677
Molecular FormulaC26H25F3N4O5
Molecular Weight530.50 g/mol
Exact Mass530.18
IUPAC Namefuran-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(-c2cccc3nc(C4CN(C(=O)c5ccoc5)CCN4C)cn23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24N4O3.C2HF3O2/c1-26-11-12-27(24(29)18-10-13-31-16-18)15-22(26)20-14-28-21(4-3-5-23(28)25-20)17-6-8-19(30-2)9-7-17;3-2(4,5)1(6)7/h3-10,13-14,16,22H,11-12,15H2,1-2H3;(H,6,7)
InChIKeyMTMYFSOQIODRIF-UHFFFAOYSA-N
XLogP4.37
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155852445
furan-2-yl-[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 155865559
furan-3-yl-[3-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methanone
CID 131671421
[2-[5-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 131673391
[3-[6-(3-fluorophenyl)triazolo[1,5-a]pyridin-3-yl]-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155862934
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
3-[4-(dimethylcarbamoyl)-1-methylpiperazin-2-yl]-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 155838461
5-[3-(4-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110109723
furan-3-yl-[4-[3-(4-methoxyphenyl)-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]piperazin-1-yl]methanone
CID 44640178
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
furan-3-yl-(2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 155829218

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 155843677) is furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid is COc1ccc(-c2cccc3nc(C4CN(C(=O)c5ccoc5)CCN4C)cn23)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is MTMYFSOQIODRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3.C2HF3O2/c1-26-11-12-27(24(29)18-10-13-31-16-18)15-22(26)20-14-28-21(4-3-5-23(28)25-20)17-6-8-19(30-2)9-7-17;3-2(4,5)1(6)7/h3-10,13-14,16,22H,11-12,15H2,1-2H3;(H,6,7).
What are the key properties of furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid?
furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 530.50 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155843677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).