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

C27H24F3N7O — CID 118545289

IUPAC2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCC(F)Cn1c(C(C)C)nc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C27H24F3N7O/c1-15(2)26-34-24(17-4-6-19(29)7-5-17)25(36(26)13-16(3)28)20-8-9-23-32-22(14-37(23)35-20)33-27(38)18-10-11-31-21(30)12-18/h4-12,14-16H,13H2,1-3H3,(H,33,38)
InChIKeyQFBRSDLGGHKLNW-UHFFFAOYSA-N
MW519.53 g/mol
LogP5.67
Rot. Bonds7

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

2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118545289) has the molecular formula C27H24F3N7O and a molecular weight of 519.53 g/mol. Its IUPAC name is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118545289
Molecular FormulaC27H24F3N7O
Molecular Weight519.53 g/mol
Exact Mass519.20
IUPAC Name2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCC(F)Cn1c(C(C)C)nc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1
InChIInChI=1S/C27H24F3N7O/c1-15(2)26-34-24(17-4-6-19(29)7-5-17)25(36(26)13-16(3)28)20-8-9-23-32-22(14-37(23)35-20)33-27(38)18-10-11-31-21(30)12-18/h4-12,14-16H,13H2,1-3H3,(H,33,38)
InChIKeyQFBRSDLGGHKLNW-UHFFFAOYSA-N
XLogP5.67
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118545289) is 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is CC(F)Cn1c(C(C)C)nc(-c2ccc(F)cc2)c1-c1ccc2nc(NC(=O)c3ccnc(F)c3)cn2n1.
What is the InChIKey of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is QFBRSDLGGHKLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O/c1-15(2)26-34-24(17-4-6-19(29)7-5-17)25(36(26)13-16(3)28)20-8-9-23-32-22(14-37(23)35-20)33-27(38)18-10-11-31-21(30)12-18/h4-12,14-16H,13H2,1-3H3,(H,33,38).
What are the key properties of 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 519.53 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-fluoropropyl)-2-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118545289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).