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

C19H17FN6O — CID 90246106

IUPACN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C19H17FN6O/c1-11-21-18(13-4-6-14(20)7-5-13)19(25(11)3)15-8-9-17-23-16(22-12(2)27)10-26(17)24-15/h4-10H,1-3H3,(H,22,27)
InChIKeyZAQWBEBQJQLLDO-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.20
Rot. Bonds3

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

N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 90246106) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID90246106
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC NameN-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1
InChIInChI=1S/C19H17FN6O/c1-11-21-18(13-4-6-14(20)7-5-13)19(25(11)3)15-8-9-17-23-16(22-12(2)27)10-26(17)24-15/h4-10H,1-3H3,(H,22,27)
InChIKeyZAQWBEBQJQLLDO-UHFFFAOYSA-N
XLogP3.20
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
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]acetamide?
The IUPAC name of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (CID 90246106) is N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The canonical SMILES for N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide is CC(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C)n3C)ccc2n1.
What is the InChIKey of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
The InChIKey is ZAQWBEBQJQLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-11-21-18(13-4-6-14(20)7-5-13)19(25(11)3)15-8-9-17-23-16(22-12(2)27)10-26(17)24-15/h4-10H,1-3H3,(H,22,27).
What are the key properties of N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide?
N-[6-[5-(4-fluorophenyl)-2,3-dimethylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 364.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 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]acetamide is sourced from PubChem (CID 90246106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).