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

C22H20FN7O2 — CID 118547781

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4CCC(=O)N4)cn3n2)n1C
InChIInChI=1S/C22H20FN7O2/c1-12-24-20(13-3-5-14(23)6-4-13)21(29(12)2)15-7-9-18-26-17(11-30(18)28-15)27-22(32)16-8-10-19(31)25-16/h3-7,9,11,16H,8,10H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyVKAYXDAUXCCSPJ-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.46
Rot. Bonds4

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 118547781) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID118547781
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4CCC(=O)N4)cn3n2)n1C
InChIInChI=1S/C22H20FN7O2/c1-12-24-20(13-3-5-14(23)6-4-13)21(29(12)2)15-7-9-18-26-17(11-30(18)28-15)27-22(32)16-8-10-19(31)25-16/h3-7,9,11,16H,8,10H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyVKAYXDAUXCCSPJ-UHFFFAOYSA-N
XLogP2.46
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 118547781) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-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]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)C4CCC(=O)N4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is VKAYXDAUXCCSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-12-24-20(13-3-5-14(23)6-4-13)21(29(12)2)15-7-9-18-26-17(11-30(18)28-15)27-22(32)16-8-10-19(31)25-16/h3-7,9,11,16H,8,10H2,1-2H3,(H,25,31)(H,27,32).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 433.45 g/mol, XLogP of 2.46, 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]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 118547781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).