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

C24H21F3N6O4 — CID 155074075

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N(C)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H21F3N6O4/c1-14(34)29-20-13-33-21(30-20)8-7-19(31-33)16-10-18(22(36-3)28-11-16)23(35)32(2)12-15-5-4-6-17(9-15)37-24(25,26)27/h4-11,13H,12H2,1-3H3,(H,29,34)
InChIKeyTVILPIHGNMKMGV-UHFFFAOYSA-N
MW514.46 g/mol
LogP3.93
Rot. Bonds7

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

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155074075) has the molecular formula C24H21F3N6O4 and a molecular weight of 514.46 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
PubChem CID155074075
Molecular FormulaC24H21F3N6O4
Molecular Weight514.46 g/mol
Exact Mass514.16
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N(C)Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C24H21F3N6O4/c1-14(34)29-20-13-33-21(30-20)8-7-19(31-33)16-10-18(22(36-3)28-11-16)23(35)32(2)12-15-5-4-6-17(9-15)37-24(25,26)27/h4-11,13H,12H2,1-3H3,(H,29,34)
InChIKeyTVILPIHGNMKMGV-UHFFFAOYSA-N
XLogP3.93
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.46
LogP ≤ 53.93
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-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide (CID 155074075) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is COc1ncc(-c2ccc3nc(NC(C)=O)cn3n2)cc1C(=O)N(C)Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is TVILPIHGNMKMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O4/c1-14(34)29-20-13-33-21(30-20)8-7-19(31-33)16-10-18(22(36-3)28-11-16)23(35)32(2)12-15-5-4-6-17(9-15)37-24(25,26)27/h4-11,13H,12H2,1-3H3,(H,29,34).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 514.46 g/mol, XLogP of 3.93, 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-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).