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

C23H17ClFN7O — CID 118538985

IUPACN-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C
InChIInChI=1S/C23H17ClFN7O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H,29,33)
InChIKeyOWUWCVWRDVYAFL-UHFFFAOYSA-N
MW461.89 g/mol
LogP4.55
Rot. Bonds4

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

N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (PubChem CID 118538985) has the molecular formula C23H17ClFN7O and a molecular weight of 461.89 g/mol. Its IUPAC name is N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
PubChem CID118538985
Molecular FormulaC23H17ClFN7O
Molecular Weight461.89 g/mol
Exact Mass461.12
IUPAC NameN-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C
InChIInChI=1S/C23H17ClFN7O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H,29,33)
InChIKeyOWUWCVWRDVYAFL-UHFFFAOYSA-N
XLogP4.55
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide (CID 118538985) is N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)n1C.
What is the InChIKey of N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
The InChIKey is OWUWCVWRDVYAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN7O/c1-13-27-21(14-3-5-16(24)6-4-14)22(31(13)2)17-7-8-20-28-19(12-32(20)30-17)29-23(33)15-9-10-26-18(25)11-15/h3-12H,1-2H3,(H,29,33).
What are the key properties of N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide?
N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide has a molecular weight of 461.89 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-chlorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118538985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).