2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide

C27H27F3N4O2 — CID 57406173

IUPAC2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)Oc1ccccc1-c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C27H27F3N4O2/c1-16(2)36-23-9-7-6-8-18(23)20-12-13-24-31-22(15-34(24)33-20)17-10-11-19(27(28,29)30)21(14-17)32-25(35)26(3,4)5/h6-16H,1-5H3,(H,32,35)
InChIKeyCBLICSTWVJBQEJ-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.85
Rot. Bonds5

About 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide

2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 57406173) has the molecular formula C27H27F3N4O2 and a molecular weight of 496.53 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
PubChem CID57406173
Molecular FormulaC27H27F3N4O2
Molecular Weight496.53 g/mol
Exact Mass496.21
IUPAC Name2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)Oc1ccccc1-c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1
InChIInChI=1S/C27H27F3N4O2/c1-16(2)36-23-9-7-6-8-18(23)20-12-13-24-31-22(15-34(24)33-20)17-10-11-19(27(28,29)30)21(14-17)32-25(35)26(3,4)5/h6-16H,1-5H3,(H,32,35)
InChIKeyCBLICSTWVJBQEJ-UHFFFAOYSA-N
XLogP6.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide (CID 57406173) is 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide is CC(C)Oc1ccccc1-c1ccc2nc(-c3ccc(C(F)(F)F)c(NC(=O)C(C)(C)C)c3)cn2n1.
What is the InChIKey of 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CBLICSTWVJBQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O2/c1-16(2)36-23-9-7-6-8-18(23)20-12-13-24-31-22(15-34(24)33-20)17-10-11-19(27(28,29)30)21(14-17)32-25(35)26(3,4)5/h6-16H,1-5H3,(H,32,35).
What are the key properties of 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide?
2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 496.53 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[6-(2-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 57406173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).