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

C26H20FN7O — CID 118538911

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C
InChIInChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35)
InChIKeyNVZXZYRCZOJTKA-UHFFFAOYSA-N
MW465.49 g/mol
LogP4.98
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide (PubChem CID 118538911) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
PubChem CID118538911
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C
InChIInChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35)
InChIKeyNVZXZYRCZOJTKA-UHFFFAOYSA-N
XLogP4.98
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 90246106
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrimidine-2-carboxamide
CID 118538650
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-8-carboxamide
CID 118538808
6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide
CID 118538742
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-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90246238
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 118538790
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
CID 118537123
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-2-carboxamide
CID 118537094
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methylpyridine-2-carboxamide
CID 118550846
N-[6-[3,5-bis(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2,6-difluoropyridine-4-carboxamide
CID 118538710
N-[6-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrazole-5-carboxamide
CID 118538920

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide (CID 118538911) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ccccc45)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?
The InChIKey is NVZXZYRCZOJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-15-29-24(16-7-9-17(27)10-8-16)25(33(15)2)21-11-12-23-30-22(14-34(23)32-21)31-26(35)19-13-28-20-6-4-3-5-18(19)20/h3-14,28H,1-2H3,(H,31,35).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 118538911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).