N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide

C18H16ClF3N4O2 — CID 88541438

IUPACN-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(Cl)ccc3n2)ccc1OC(F)(F)F
InChIInChI=1S/C18H16ClF3N4O2/c1-17(2,3)16(27)24-11-8-10(4-5-13(11)28-18(20,21)22)12-9-26-15(23-12)7-6-14(19)25-26/h4-9H,1-3H3,(H,24,27)
InChIKeyMNFSPPFGCJGMSR-UHFFFAOYSA-N
MW412.80 g/mol
LogP4.93
Rot. Bonds3

About N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide

N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide (PubChem CID 88541438) has the molecular formula C18H16ClF3N4O2 and a molecular weight of 412.80 g/mol. Its IUPAC name is N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide
PubChem CID88541438
Molecular FormulaC18H16ClF3N4O2
Molecular Weight412.80 g/mol
Exact Mass412.09
IUPAC NameN-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(-c2cn3nc(Cl)ccc3n2)ccc1OC(F)(F)F
InChIInChI=1S/C18H16ClF3N4O2/c1-17(2,3)16(27)24-11-8-10(4-5-13(11)28-18(20,21)22)12-9-26-15(23-12)7-6-14(19)25-26/h4-9H,1-3H3,(H,24,27)
InChIKeyMNFSPPFGCJGMSR-UHFFFAOYSA-N
XLogP4.93
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide (CID 88541438) is N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(-c2cn3nc(Cl)ccc3n2)ccc1OC(F)(F)F.
What is the InChIKey of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide?
The InChIKey is MNFSPPFGCJGMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2/c1-17(2,3)16(27)24-11-8-10(4-5-13(11)28-18(20,21)22)12-9-26-15(23-12)7-6-14(19)25-26/h4-9H,1-3H3,(H,24,27).
What are the key properties of N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide?
N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide has a molecular weight of 412.80 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloroimidazo[1,2-b]pyridazin-2-yl)-2-(trifluoromethoxy)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 88541438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).