3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine

C16H18FN5 — CID 146411109

IUPAC3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine
SMILESC[C@@H]1CCCN1C1=NN2C(=NCC2c2cccc(F)n2)C=C1
InChIInChI=1S/C16H18FN5/c1-11-4-3-9-21(11)16-8-7-15-18-10-13(22(15)20-16)12-5-2-6-14(17)19-12/h2,5-8,11,13H,3-4,9-10H2,1H3/t11-,13?/m1/s1
InChIKeyRQACKLCEOJDYOO-JTDNENJMSA-N
MW299.35 g/mol
LogP2.34
Rot. Bonds1

About 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine

3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine (PubChem CID 146411109) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine
PubChem CID146411109
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine
SMILESC[C@@H]1CCCN1C1=NN2C(=NCC2c2cccc(F)n2)C=C1
InChIInChI=1S/C16H18FN5/c1-11-4-3-9-21(11)16-8-7-15-18-10-13(22(15)20-16)12-5-2-6-14(17)19-12/h2,5-8,11,13H,3-4,9-10H2,1H3/t11-,13?/m1/s1
InChIKeyRQACKLCEOJDYOO-JTDNENJMSA-N
XLogP2.34
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine (CID 146411109) is 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine is C[C@@H]1CCCN1C1=NN2C(=NCC2c2cccc(F)n2)C=C1.
What is the InChIKey of 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine?
The InChIKey is RQACKLCEOJDYOO-JTDNENJMSA-N. The full InChI is InChI=1S/C16H18FN5/c1-11-4-3-9-21(11)16-8-7-15-18-10-13(22(15)20-16)12-5-2-6-14(17)19-12/h2,5-8,11,13H,3-4,9-10H2,1H3/t11-,13?/m1/s1.
What are the key properties of 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine?
3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine has a molecular weight of 299.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-pyridinyl)-6-[(2R)-2-methylpyrrolidin-1-yl]-2,3-dihydroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 146411109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).