2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

C29H23F5N8O2 — CID 118538910

IUPAC2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCC(C)(C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1)C(F)(F)F
InChIInChI=1S/C29H23F5N8O2/c1-28(2,29(32,33)34)27(44)40-11-12-41-23(15-40)38-24(16-3-5-18(30)6-4-16)25(41)19-7-8-22-36-21(14-42(22)39-19)37-26(43)17-9-10-35-20(31)13-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,37,43)
InChIKeyUAHIZTZDSCVZNO-UHFFFAOYSA-N
MW610.55 g/mol
LogP5.12
Rot. Bonds5

About 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (PubChem CID 118538910) has the molecular formula C29H23F5N8O2 and a molecular weight of 610.55 g/mol. Its IUPAC name is 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
PubChem CID118538910
Molecular FormulaC29H23F5N8O2
Molecular Weight610.55 g/mol
Exact Mass610.19
IUPAC Name2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
SMILESCC(C)(C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)C1)C(F)(F)F
InChIInChI=1S/C29H23F5N8O2/c1-28(2,29(32,33)34)27(44)40-11-12-41-23(15-40)38-24(16-3-5-18(30)6-4-16)25(41)19-7-8-22-36-21(14-42(22)39-19)37-26(43)17-9-10-35-20(31)13-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,37,43)
InChIKeyUAHIZTZDSCVZNO-UHFFFAOYSA-N
XLogP5.12
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide (CID 118538910) is 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is CC(C)(C(=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-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
The InChIKey is UAHIZTZDSCVZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F5N8O2/c1-28(2,29(32,33)34)27(44)40-11-12-41-23(15-40)38-24(16-3-5-18(30)6-4-16)25(41)19-7-8-22-36-21(14-42(22)39-19)37-26(43)17-9-10-35-20(31)13-17/h3-10,13-14H,11-12,15H2,1-2H3,(H,37,43).
What are the key properties of 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide?
2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide has a molecular weight of 610.55 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[2-(4-fluorophenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropanoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118538910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).