ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate

C19H16BrF3N4O3 — CID 155167092

IUPACethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1
InChIInChI=1S/C19H16BrF3N4O3/c1-2-30-17(28)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-18(29)13-4-3-5-15(25-13)19(21,22)23/h3-5,8-10H,2,6-7H2,1H3,(H,26,29)
InChIKeyISLIXOJRXRALOK-UHFFFAOYSA-N
MW485.26 g/mol
LogP4.26
Rot. Bonds6

About ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate

ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 155167092) has the molecular formula C19H16BrF3N4O3 and a molecular weight of 485.26 g/mol. Its IUPAC name is ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID155167092
Molecular FormulaC19H16BrF3N4O3
Molecular Weight485.26 g/mol
Exact Mass484.04
IUPAC Nameethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1
InChIInChI=1S/C19H16BrF3N4O3/c1-2-30-17(28)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-18(29)13-4-3-5-15(25-13)19(21,22)23/h3-5,8-10H,2,6-7H2,1H3,(H,26,29)
InChIKeyISLIXOJRXRALOK-UHFFFAOYSA-N
XLogP4.26
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.26
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate (CID 155167092) is ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is CCOC(=O)CCc1cn2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(Br)cc2n1.
What is the InChIKey of ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is ISLIXOJRXRALOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O3/c1-2-30-17(28)7-6-11-9-27-10-14(12(20)8-16(27)24-11)26-18(29)13-4-3-5-15(25-13)19(21,22)23/h3-5,8-10H,2,6-7H2,1H3,(H,26,29).
What are the key properties of ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate?
ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 485.26 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[7-bromo-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 155167092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).