N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C19H20F3N5O — CID 57403491

IUPACN-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCNCC4)nn23)c1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-25-18-5-4-17(26-27(16)18)24-11-13-6-8-23-9-7-13/h1-5,10,12-13,23H,6-9,11H2,(H,24,26)
InChIKeyAUOKUOLENNHANL-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.71
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 57403491) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID57403491
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC NameN-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCNCC4)nn23)c1
InChIInChI=1S/C19H20F3N5O/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-25-18-5-4-17(26-27(16)18)24-11-13-6-8-23-9-7-13/h1-5,10,12-13,23H,6-9,11H2,(H,24,26)
InChIKeyAUOKUOLENNHANL-UHFFFAOYSA-N
XLogP3.71
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 57403491) is N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCNCC4)nn23)c1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AUOKUOLENNHANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c20-19(21,22)28-15-3-1-2-14(10-15)16-12-25-18-5-4-17(26-27(16)18)24-11-13-6-8-23-9-7-13/h1-5,10,12-13,23H,6-9,11H2,(H,24,26).
What are the key properties of N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 391.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 57403491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).