5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

C25H23F3N6O4 — CID 155074159

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N6O4/c1-14-17(19-9-10-22-31-21(30-15(2)35)13-34(22)32-19)11-18(23(29-14)37-4)24(36)33(3)12-16-7-5-6-8-20(16)38-25(26,27)28/h5-11,13H,12H2,1-4H3,(H,30,35)
InChIKeyXBMRSFBYJUQCQF-UHFFFAOYSA-N
MW528.49 g/mol
LogP4.24
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155074159) has the molecular formula C25H23F3N6O4 and a molecular weight of 528.49 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID155074159
Molecular FormulaC25H23F3N6O4
Molecular Weight528.49 g/mol
Exact Mass528.17
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N(C)Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C25H23F3N6O4/c1-14-17(19-9-10-22-31-21(30-15(2)35)13-34(22)32-19)11-18(23(29-14)37-4)24(36)33(3)12-16-7-5-6-8-20(16)38-25(26,27)28/h5-11,13H,12H2,1-4H3,(H,30,35)
InChIKeyXBMRSFBYJUQCQF-UHFFFAOYSA-N
XLogP4.24
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 155074159) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is COc1nc(C)c(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N(C)Cc1ccccc1OC(F)(F)F.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XBMRSFBYJUQCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O4/c1-14-17(19-9-10-22-31-21(30-15(2)35)13-34(22)32-19)11-18(23(29-14)37-4)24(36)33(3)12-16-7-5-6-8-20(16)38-25(26,27)28/h5-11,13H,12H2,1-4H3,(H,30,35).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 528.49 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N,6-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).