N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C21H24F3N5O — CID 25025645

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C21H24F3N5O/c1-2-28-10-8-15(9-11-28)13-25-19-6-7-20-26-14-18(29(20)27-19)16-4-3-5-17(12-16)30-21(22,23)24/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,25,27)
InChIKeyZXNAXEZHUKKKTA-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.44
Rot. Bonds6

About N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25025645) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID25025645
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C21H24F3N5O/c1-2-28-10-8-15(9-11-28)13-25-19-6-7-20-26-14-18(29(20)27-19)16-4-3-5-17(12-16)30-21(22,23)24/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,25,27)
InChIKeyZXNAXEZHUKKKTA-UHFFFAOYSA-N
XLogP4.44
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 25025645) is N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is CCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ZXNAXEZHUKKKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-2-28-10-8-15(9-11-28)13-25-19-6-7-20-26-14-18(29(20)27-19)16-4-3-5-17(12-16)30-21(22,23)24/h3-7,12,14-15H,2,8-11,13H2,1H3,(H,25,27).
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 419.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25025645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).