5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide

C22H18F3N7O2 — CID 155074138

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(C(F)(F)F)ccn4)c3)ccc2n1
InChIInChI=1S/C22H18F3N7O2/c1-12-17(21(34)28-10-16-8-15(5-6-26-16)22(23,24)25)7-14(9-27-12)18-3-4-20-30-19(29-13(2)33)11-32(20)31-18/h3-9,11H,10H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyRJYAQMHJPWLGDN-UHFFFAOYSA-N
MW469.43 g/mol
LogP3.40
Rot. Bonds5

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 155074138) has the molecular formula C22H18F3N7O2 and a molecular weight of 469.43 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID155074138
Molecular FormulaC22H18F3N7O2
Molecular Weight469.43 g/mol
Exact Mass469.15
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(C(F)(F)F)ccn4)c3)ccc2n1
InChIInChI=1S/C22H18F3N7O2/c1-12-17(21(34)28-10-16-8-15(5-6-26-16)22(23,24)25)7-14(9-27-12)18-3-4-20-30-19(29-13(2)33)11-32(20)31-18/h3-9,11H,10H2,1-2H3,(H,28,34)(H,29,33)
InChIKeyRJYAQMHJPWLGDN-UHFFFAOYSA-N
XLogP3.40
TPSA114.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide (CID 155074138) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCc4cc(C(F)(F)F)ccn4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is RJYAQMHJPWLGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N7O2/c1-12-17(21(34)28-10-16-8-15(5-6-26-16)22(23,24)25)7-14(9-27-12)18-3-4-20-30-19(29-13(2)33)11-32(20)31-18/h3-9,11H,10H2,1-2H3,(H,28,34)(H,29,33).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 469.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155074138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).