2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid

C23H20F4N4O5 — CID 146585153

IUPAC2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid
SMILESCc1c(-c2ccc(CC(N)C(=O)O)n3ccnc23)c(=O)n(C)c2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H19FN4O3.C2HF3O2/c1-11-15-9-12(22)3-6-17(15)25(2)20(27)18(11)14-5-4-13(10-16(23)21(28)29)26-8-7-24-19(14)26;3-2(4,5)1(6)7/h3-9,16H,10,23H2,1-2H3,(H,28,29);(H,6,7)
InChIKeyLJSIUMNJURLCLC-UHFFFAOYSA-N
MW508.43 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid

2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid (PubChem CID 146585153) has the molecular formula C23H20F4N4O5 and a molecular weight of 508.43 g/mol. Its IUPAC name is 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid
PubChem CID146585153
Molecular FormulaC23H20F4N4O5
Molecular Weight508.43 g/mol
Exact Mass508.14
IUPAC Name2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid
SMILESCc1c(-c2ccc(CC(N)C(=O)O)n3ccnc23)c(=O)n(C)c2ccc(F)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H19FN4O3.C2HF3O2/c1-11-15-9-12(22)3-6-17(15)25(2)20(27)18(11)14-5-4-13(10-16(23)21(28)29)26-8-7-24-19(14)26;3-2(4,5)1(6)7/h3-9,16H,10,23H2,1-2H3,(H,28,29);(H,6,7)
InChIKeyLJSIUMNJURLCLC-UHFFFAOYSA-N
XLogP2.89
TPSA139.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid (CID 146585153) is 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid is Cc1c(-c2ccc(CC(N)C(=O)O)n3ccnc23)c(=O)n(C)c2ccc(F)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid?
The InChIKey is LJSIUMNJURLCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3.C2HF3O2/c1-11-15-9-12(22)3-6-17(15)25(2)20(27)18(11)14-5-4-13(10-16(23)21(28)29)26-8-7-24-19(14)26;3-2(4,5)1(6)7/h3-9,16H,10,23H2,1-2H3,(H,28,29);(H,6,7).
What are the key properties of 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid?
2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid has a molecular weight of 508.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[8-(6-fluoro-1,4-dimethyl-2-oxoquinolin-3-yl)imidazo[1,2-a]pyridin-5-yl]propanoic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).