2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

C29H24F5N9O2 — CID 118538749

IUPAC2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)(NC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1)C(F)(F)F
InChIInChI=1S/C29H24F5N9O2/c1-28(2,29(32,33)34)39-27(45)41-11-12-42-23(15-41)38-24(16-3-5-18(30)6-4-16)25(42)19-7-8-22-36-21(14-43(22)40-19)37-26(44)17-9-10-35-20(31)13-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,37,44)(H,39,45)
InChIKeyOIOQDNFWVGLURT-UHFFFAOYSA-N
MW625.56 g/mol
LogP5.05
Rot. Bonds5

About 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide

2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (PubChem CID 118538749) has the molecular formula C29H24F5N9O2 and a molecular weight of 625.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
PubChem CID118538749
Molecular FormulaC29H24F5N9O2
Molecular Weight625.56 g/mol
Exact Mass625.20
IUPAC Name2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
SMILESCC(C)(NC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1)C(F)(F)F
InChIInChI=1S/C29H24F5N9O2/c1-28(2,29(32,33)34)39-27(45)41-11-12-42-23(15-41)38-24(16-3-5-18(30)6-4-16)25(42)19-7-8-22-36-21(14-43(22)40-19)37-26(44)17-9-10-35-20(31)13-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,37,44)(H,39,45)
InChIKeyOIOQDNFWVGLURT-UHFFFAOYSA-N
XLogP5.05
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241795
2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 118608305
N-[6-[2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538978
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-(2-methoxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538943
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90246087
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(2-hydroxyacetyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118547761
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperazin-1-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 76684452
2,2,2-trifluoroethyl 4-[4-(4-fluorophenyl)-5-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]imidazol-1-yl]piperidine-1-carboxylate
CID 118538797
N-[6-[5-(4-chlorophenyl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 118538836
2-amino-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538866
N-[6-[5-(3,4-difluorobenzoyl)-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 118616421
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-[1-(1,2-thiazole-5-carbonyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118538965

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide (CID 118538749) is 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is CC(C)(NC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1)C(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
The InChIKey is OIOQDNFWVGLURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F5N9O2/c1-28(2,29(32,33)34)39-27(45)41-11-12-42-23(15-41)38-24(16-3-5-18(30)6-4-16)25(42)19-7-8-22-36-21(14-43(22)40-19)37-26(44)17-9-10-35-20(31)13-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,37,44)(H,39,45).
What are the key properties of 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide?
2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide has a molecular weight of 625.56 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-[2-[(2-fluoropyridine-4-carbonyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 118538749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).