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

C26H20FN7O — CID 118538995

IUPACN-[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)c4cc5ccccc5[nH]4)cn3n2)n1C
InChIInChI=1S/C26H20FN7O/c1-15-28-24(16-7-9-18(27)10-8-16)25(33(15)2)20-11-12-23-30-22(14-34(23)32-20)31-26(35)21-13-17-5-3-4-6-19(17)29-21/h3-14,29H,1-2H3,(H,31,35)
InChIKeyHAORMWKDMNSXQZ-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-2-carboxamide

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide (PubChem CID 118538995) 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-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide
PubChem CID118538995
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-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cc5ccccc5[nH]4)cn3n2)n1C
InChIInChI=1S/C26H20FN7O/c1-15-28-24(16-7-9-18(27)10-8-16)25(33(15)2)20-11-12-23-30-22(14-34(23)32-20)31-26(35)21-13-17-5-3-4-6-19(17)29-21/h3-14,29H,1-2H3,(H,31,35)
InChIKeyHAORMWKDMNSXQZ-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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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-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1H-indole-2-carboxamide (CID 118538995) is 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 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 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)c4cc5ccccc5[nH]4)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-2-carboxamide?
The InChIKey is HAORMWKDMNSXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-15-28-24(16-7-9-18(27)10-8-16)25(33(15)2)20-11-12-23-30-22(14-34(23)32-20)31-26(35)21-13-17-5-3-4-6-19(17)29-21/h3-14,29H,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-2-carboxamide?
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 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-2-carboxamide is sourced from PubChem (CID 118538995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).