3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C21H13F2N7O — CID 163544811

IUPAC3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3cn[nH]c3-c3ccc(F)cc3)ccc2n1)c1ccncc1F
InChIInChI=1S/C21H13F2N7O/c22-13-3-1-12(2-4-13)20-15(9-25-28-20)17-5-6-19-26-18(11-30(19)29-17)27-21(31)14-7-8-24-10-16(14)23/h1-11H,(H,25,28)(H,27,31)
InChIKeyFEDKTEHXJIHZRK-UHFFFAOYSA-N
MW417.38 g/mol
LogP3.71
Rot. Bonds4

About 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 163544811) has the molecular formula C21H13F2N7O and a molecular weight of 417.38 g/mol. Its IUPAC name is 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID163544811
Molecular FormulaC21H13F2N7O
Molecular Weight417.38 g/mol
Exact Mass417.11
IUPAC Name3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cn2nc(-c3cn[nH]c3-c3ccc(F)cc3)ccc2n1)c1ccncc1F
InChIInChI=1S/C21H13F2N7O/c22-13-3-1-12(2-4-13)20-15(9-25-28-20)17-5-6-19-26-18(11-30(19)29-17)27-21(31)14-7-8-24-10-16(14)23/h1-11H,(H,25,28)(H,27,31)
InChIKeyFEDKTEHXJIHZRK-UHFFFAOYSA-N
XLogP3.71
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 163544811) is 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is O=C(Nc1cn2nc(-c3cn[nH]c3-c3ccc(F)cc3)ccc2n1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is FEDKTEHXJIHZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N7O/c22-13-3-1-12(2-4-13)20-15(9-25-28-20)17-5-6-19-26-18(11-30(19)29-17)27-21(31)14-7-8-24-10-16(14)23/h1-11H,(H,25,28)(H,27,31).
What are the key properties of 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 417.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 163544811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).