ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate

C22H20F2N6O2 — CID 71278172

IUPACethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(N2CC[C@@H](F)C2)nn2cc(-c3nc4c(F)cccc4nc3C)nc12
InChIInChI=1S/C22H20F2N6O2/c1-3-32-22(31)14-9-18(29-8-7-13(23)10-29)28-30-11-17(26-21(14)30)19-12(2)25-16-6-4-5-15(24)20(16)27-19/h4-6,9,11,13H,3,7-8,10H2,1-2H3/t13-/m1/s1
InChIKeyRGFXXXMEDIYLEE-CYBMUJFWSA-N
MW438.44 g/mol
LogP3.51
Rot. Bonds4

About ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate

ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate (PubChem CID 71278172) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate
PubChem CID71278172
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Nameethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate
SMILESCCOC(=O)c1cc(N2CC[C@@H](F)C2)nn2cc(-c3nc4c(F)cccc4nc3C)nc12
InChIInChI=1S/C22H20F2N6O2/c1-3-32-22(31)14-9-18(29-8-7-13(23)10-29)28-30-11-17(26-21(14)30)19-12(2)25-16-6-4-5-15(24)20(16)27-19/h4-6,9,11,13H,3,7-8,10H2,1-2H3/t13-/m1/s1
InChIKeyRGFXXXMEDIYLEE-CYBMUJFWSA-N
XLogP3.51
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.51
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-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate?
The IUPAC name of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate (CID 71278172) is ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate.
What is the SMILES notation for ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate?
The canonical SMILES for ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate is CCOC(=O)c1cc(N2CC[C@@H](F)C2)nn2cc(-c3nc4c(F)cccc4nc3C)nc12.
What is the InChIKey of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate?
The InChIKey is RGFXXXMEDIYLEE-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-3-32-22(31)14-9-18(29-8-7-13(23)10-29)28-30-11-17(26-21(14)30)19-12(2)25-16-6-4-5-15(24)20(16)27-19/h4-6,9,11,13H,3,7-8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate?
ethyl 2-(8-fluoro-3-methylquinoxalin-2-yl)-6-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate has a molecular weight of 438.44 g/mol, XLogP of 3.51, 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-[(3R)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-8-carboxylate is sourced from PubChem (CID 71278172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).