ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate

C19H19FN4O2 — CID 66684282

IUPACethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C19H19FN4O2/c1-2-26-19(25)16-12-21-17-8-9-18(22-24(16)17)23-10-4-7-15(23)13-5-3-6-14(20)11-13/h3,5-6,8-9,11-12,15H,2,4,7,10H2,1H3/t15-/m1/s1
InChIKeyQIYWLXDVGZBKTK-OAHLLOKOSA-N
MW354.39 g/mol
LogP3.39
Rot. Bonds4

About ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 66684282) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID66684282
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Nameethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C19H19FN4O2/c1-2-26-19(25)16-12-21-17-8-9-18(22-24(16)17)23-10-4-7-15(23)13-5-3-6-14(20)11-13/h3,5-6,8-9,11-12,15H,2,4,7,10H2,1H3/t15-/m1/s1
InChIKeyQIYWLXDVGZBKTK-OAHLLOKOSA-N
XLogP3.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate (CID 66684282) is ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is QIYWLXDVGZBKTK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-2-26-19(25)16-12-21-17-8-9-18(22-24(16)17)23-10-4-7-15(23)13-5-3-6-14(20)11-13/h3,5-6,8-9,11-12,15H,2,4,7,10H2,1H3/t15-/m1/s1.
What are the key properties of ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 66684282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).