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

C19H14F3N5O — CID 44530406

IUPACN-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)28-15-3-1-14(2-4-15)16-12-25-18-6-5-17(26-27(16)18)24-11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
InChIKeyMNLLEXJYACUWBR-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.30
Rot. Bonds5

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

N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 44530406) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID44530406
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC NameN-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESFC(F)(F)Oc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)28-15-3-1-14(2-4-15)16-12-25-18-6-5-17(26-27(16)18)24-11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
InChIKeyMNLLEXJYACUWBR-UHFFFAOYSA-N
XLogP4.30
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 44530406) is N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is FC(F)(F)Oc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MNLLEXJYACUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-3-1-14(2-4-15)16-12-25-18-6-5-17(26-27(16)18)24-11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26).
What are the key properties of N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 385.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 44530406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).