6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine

C19H14F3N5O — CID 134809072

IUPAC6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc3ncc(Nc4cccc(C(F)(F)F)c4)n3n2)cn1
InChIInChI=1S/C19H14F3N5O/c1-28-18-8-5-12(10-24-18)15-6-7-16-23-11-17(27(16)26-15)25-14-4-2-3-13(9-14)19(20,21)22/h2-11,25H,1H3
InChIKeyVVQCTRHLIPLROW-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.56
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine

6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134809072) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
PubChem CID134809072
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc3ncc(Nc4cccc(C(F)(F)F)c4)n3n2)cn1
InChIInChI=1S/C19H14F3N5O/c1-28-18-8-5-12(10-24-18)15-6-7-16-23-11-17(27(16)26-15)25-14-4-2-3-13(9-14)19(20,21)22/h2-11,25H,1H3
InChIKeyVVQCTRHLIPLROW-UHFFFAOYSA-N
XLogP4.56
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine (CID 134809072) is 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine is COc1ccc(-c2ccc3ncc(Nc4cccc(C(F)(F)F)c4)n3n2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is VVQCTRHLIPLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-28-18-8-5-12(10-24-18)15-6-7-16-23-11-17(27(16)26-15)25-14-4-2-3-13(9-14)19(20,21)22/h2-11,25H,1H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine?
6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 385.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134809072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).