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

C26H19F2N7O — CID 118538742

IUPAC6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc5ccc(F)cc5[nH]4)cn3n2)n1C
InChIInChI=1S/C26H19F2N7O/c1-14-29-24(15-3-6-17(27)7-4-15)25(34(14)2)19-9-10-23-31-22(13-35(23)33-19)32-26(36)21-11-16-5-8-18(28)12-20(16)30-21/h3-13,30H,1-2H3,(H,32,36)
InChIKeyGERCJGXPRJRGBO-UHFFFAOYSA-N
MW483.48 g/mol
LogP5.12
Rot. Bonds4

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

6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide (PubChem CID 118538742) has the molecular formula C26H19F2N7O and a molecular weight of 483.48 g/mol. Its IUPAC name is 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide
PubChem CID118538742
Molecular FormulaC26H19F2N7O
Molecular Weight483.48 g/mol
Exact Mass483.16
IUPAC Name6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc5ccc(F)cc5[nH]4)cn3n2)n1C
InChIInChI=1S/C26H19F2N7O/c1-14-29-24(15-3-6-17(27)7-4-15)25(34(14)2)19-9-10-23-31-22(13-35(23)33-19)32-26(36)21-11-16-5-8-18(28)12-20(16)30-21/h3-13,30H,1-2H3,(H,32,36)
InChIKeyGERCJGXPRJRGBO-UHFFFAOYSA-N
XLogP5.12
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 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) is 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc5ccc(F)cc5[nH]4)cn3n2)n1C.
What is the InChIKey of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is GERCJGXPRJRGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7O/c1-14-29-24(15-3-6-17(27)7-4-15)25(34(14)2)19-9-10-23-31-22(13-35(23)33-19)32-26(36)21-11-16-5-8-18(28)12-20(16)30-21/h3-13,30H,1-2H3,(H,32,36).
What are the key properties of 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide?
6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118538742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).