N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

C21H20F3N7O — CID 118278223

IUPACN,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C21H20F3N7O/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15/h4-6,9-11H,7-8H2,1-3H3,(H,25,32)
InChIKeyNUHILIHGMKHKGY-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.00
Rot. Bonds5

About N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide

N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 118278223) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID118278223
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC NameN,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide
SMILESCNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12
InChIInChI=1S/C21H20F3N7O/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15/h4-6,9-11H,7-8H2,1-3H3,(H,25,32)
InChIKeyNUHILIHGMKHKGY-UHFFFAOYSA-N
XLogP3.00
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide (CID 118278223) is N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is CNC(=O)c1cc(CCc2nc(-c3ccccn3)cn2C)nn2c(C)c(C(F)(F)F)nc12.
What is the InChIKey of N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is NUHILIHGMKHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15/h4-6,9-11H,7-8H2,1-3H3,(H,25,32).
What are the key properties of N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide?
N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-[2-(1-methyl-4-pyridin-2-ylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 118278223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).