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

C24H17ClF2N6O — CID 118538787

IUPAC4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(Cl)cc4F)cn3n2)n1C
InChIInChI=1S/C24H17ClF2N6O/c1-13-28-22(14-3-6-16(26)7-4-14)23(32(13)2)19-9-10-21-29-20(12-33(21)31-19)30-24(34)17-8-5-15(25)11-18(17)27/h3-12H,1-2H3,(H,30,34)
InChIKeyKUMUSPCAYPKLPE-UHFFFAOYSA-N
MW478.89 g/mol
LogP5.29
Rot. Bonds4

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

4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (PubChem CID 118538787) has the molecular formula C24H17ClF2N6O and a molecular weight of 478.89 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
PubChem CID118538787
Molecular FormulaC24H17ClF2N6O
Molecular Weight478.89 g/mol
Exact Mass478.11
IUPAC Name4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(Cl)cc4F)cn3n2)n1C
InChIInChI=1S/C24H17ClF2N6O/c1-13-28-22(14-3-6-16(26)7-4-14)23(32(13)2)19-9-10-21-29-20(12-33(21)31-19)30-24(34)17-8-5-15(25)11-18(17)27/h3-12H,1-2H3,(H,30,34)
InChIKeyKUMUSPCAYPKLPE-UHFFFAOYSA-N
XLogP5.29
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.89
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide (CID 118538787) is 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccc(Cl)cc4F)cn3n2)n1C.
What is the InChIKey of 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
The InChIKey is KUMUSPCAYPKLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N6O/c1-13-28-22(14-3-6-16(26)7-4-14)23(32(13)2)19-9-10-21-29-20(12-33(21)31-19)30-24(34)17-8-5-15(25)11-18(17)27/h3-12H,1-2H3,(H,30,34).
What are the key properties of 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide?
4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide has a molecular weight of 478.89 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]benzamide is sourced from PubChem (CID 118538787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).