5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide

C23H21FN6O — CID 44520443

IUPAC5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cn1
InChIInChI=1S/C23H21FN6O/c1-25-23(31)18-8-7-16(13-26-18)20-14-27-21-9-10-22(28-30(20)21)29-11-3-6-19(29)15-4-2-5-17(24)12-15/h2,4-5,7-10,12-14,19H,3,6,11H2,1H3,(H,25,31)
InChIKeyOJHXLALDGYGAOO-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.63
Rot. Bonds4

About 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide

5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide (PubChem CID 44520443) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide
PubChem CID44520443
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cn1
InChIInChI=1S/C23H21FN6O/c1-25-23(31)18-8-7-16(13-26-18)20-14-27-21-9-10-22(28-30(20)21)29-11-3-6-19(29)15-4-2-5-17(24)12-15/h2,4-5,7-10,12-14,19H,3,6,11H2,1H3,(H,25,31)
InChIKeyOJHXLALDGYGAOO-UHFFFAOYSA-N
XLogP3.63
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide (CID 44520443) is 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cnc3ccc(N4CCCC4c4cccc(F)c4)nn23)cn1.
What is the InChIKey of 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is OJHXLALDGYGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-25-23(31)18-8-7-16(13-26-18)20-14-27-21-9-10-22(28-30(20)21)29-11-3-6-19(29)15-4-2-5-17(24)12-15/h2,4-5,7-10,12-14,19H,3,6,11H2,1H3,(H,25,31).
What are the key properties of 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide?
5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 44520443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).