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

C24H24FN7O2 — CID 118547780

IUPAC1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34)
InChIKeyOGFALIANKHQUBE-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.19
Rot. Bonds4

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

1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 118547780) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID118547780
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34)
InChIKeyOGFALIANKHQUBE-UHFFFAOYSA-N
XLogP3.19
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide (CID 118547780) is 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1.
What is the InChIKey of 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is OGFALIANKHQUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-14-26-22(16-6-8-17(25)9-7-16)23(30(14)3)18-10-11-21-27-20(13-32(21)29-18)28-24(34)19-5-4-12-31(19)15(2)33/h6-11,13,19H,4-5,12H2,1-3H3,(H,28,34).
What are the key properties of 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide?
1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118547780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).