ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate

C22H21FN6O2 — CID 71278190

IUPACethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(N2CCCC2)nn2cc(-c3nc4c(F)cccc4nc3C)nc12
InChIInChI=1S/C22H21FN6O2/c1-3-31-22(30)14-11-18(28-9-4-5-10-28)27-29-12-17(25-21(14)29)19-13(2)24-16-8-6-7-15(23)20(16)26-19/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyBIVNLAFVAUBKLI-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.56
Rot. Bonds4

About ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate

ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 71278190) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID71278190
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Nameethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(N2CCCC2)nn2cc(-c3nc4c(F)cccc4nc3C)nc12
InChIInChI=1S/C22H21FN6O2/c1-3-31-22(30)14-11-18(28-9-4-5-10-28)27-29-12-17(25-21(14)29)19-13(2)24-16-8-6-7-15(23)20(16)26-19/h6-8,11-12H,3-5,9-10H2,1-2H3
InChIKeyBIVNLAFVAUBKLI-UHFFFAOYSA-N
XLogP3.56
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate (CID 71278190) is ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate is CCOC(=O)c1cc(N2CCCC2)nn2cc(-c3nc4c(F)cccc4nc3C)nc12.
What is the InChIKey of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is BIVNLAFVAUBKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-3-31-22(30)14-11-18(28-9-4-5-10-28)27-29-12-17(25-21(14)29)19-13(2)24-16-8-6-7-15(23)20(16)26-19/h6-8,11-12H,3-5,9-10H2,1-2H3.
What are the key properties of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate?
ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 420.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 71278190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).