imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

C21H19F3N6O3S — CID 154886878

IUPACimidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnc2ccccn12)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C19H18N6OS.C2HF3O2/c26-19(17-11-20-18-3-1-2-7-24(17)18)23-8-4-15(5-9-23)25-12-16(21-22-25)14-6-10-27-13-14;3-2(4,5)1(6)7/h1-3,6-7,10-13,15H,4-5,8-9H2;(H,6,7)
InChIKeyLLTGPQXQRFFQRY-UHFFFAOYSA-N
MW492.48 g/mol
LogP3.76
Rot. Bonds3

About imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid

imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 154886878) has the molecular formula C21H19F3N6O3S and a molecular weight of 492.48 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID154886878
Molecular FormulaC21H19F3N6O3S
Molecular Weight492.48 g/mol
Exact Mass492.12
IUPAC Nameimidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(c1cnc2ccccn12)N1CCC(n2cc(-c3ccsc3)nn2)CC1
InChIInChI=1S/C19H18N6OS.C2HF3O2/c26-19(17-11-20-18-3-1-2-7-24(17)18)23-8-4-15(5-9-23)25-12-16(21-22-25)14-6-10-27-13-14;3-2(4,5)1(6)7/h1-3,6-7,10-13,15H,4-5,8-9H2;(H,6,7)
InChIKeyLLTGPQXQRFFQRY-UHFFFAOYSA-N
XLogP3.76
TPSA105.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid (CID 154886878) is imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1cnc2ccccn12)N1CCC(n2cc(-c3ccsc3)nn2)CC1.
What is the InChIKey of imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is LLTGPQXQRFFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS.C2HF3O2/c26-19(17-11-20-18-3-1-2-7-24(17)18)23-8-4-15(5-9-23)25-12-16(21-22-25)14-6-10-27-13-14;3-2(4,5)1(6)7/h1-3,6-7,10-13,15H,4-5,8-9H2;(H,6,7).
What are the key properties of imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid?
imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 492.48 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-3-yl-[4-(4-thiophen-3-yltriazol-1-yl)piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).