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

C25H19FN8O — CID 118538696

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ncccc45)cn3n2)n1C
InChIInChI=1S/C25H19FN8O/c1-14-29-22(15-5-7-16(26)8-6-15)23(33(14)2)19-9-10-21-30-20(13-34(21)32-19)31-25(35)18-12-28-24-17(18)4-3-11-27-24/h3-13H,1-2H3,(H,27,28)(H,31,35)
InChIKeyIZFCTXZDMUALJU-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.37
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 118538696) has the molecular formula C25H19FN8O and a molecular weight of 466.48 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID118538696
Molecular FormulaC25H19FN8O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ncccc45)cn3n2)n1C
InChIInChI=1S/C25H19FN8O/c1-14-29-22(15-5-7-16(26)8-6-15)23(33(14)2)19-9-10-21-30-20(13-34(21)32-19)31-25(35)18-12-28-24-17(18)4-3-11-27-24/h3-13H,1-2H3,(H,27,28)(H,31,35)
InChIKeyIZFCTXZDMUALJU-UHFFFAOYSA-N
XLogP4.37
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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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-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 118538696) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-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-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4c[nH]c5ncccc45)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-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IZFCTXZDMUALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN8O/c1-14-29-22(15-5-7-16(26)8-6-15)23(33(14)2)19-9-10-21-30-20(13-34(21)32-19)31-25(35)18-12-28-24-17(18)4-3-11-27-24/h3-13H,1-2H3,(H,27,28)(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-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 466.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118538696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).