2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid

C18H15F3N4O3 — CID 151634107

IUPAC2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1c(N2CCOCC2)nc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C18H15F3N4O3/c19-18(20,21)12-4-2-1-3-11(12)13-5-6-14-22-16(24-7-9-28-10-8-24)15(17(26)27)25(14)23-13/h1-6H,7-10H2,(H,26,27)
InChIKeyQRDGMOTTYDQMJH-UHFFFAOYSA-N
MW392.34 g/mol
LogP2.95
Rot. Bonds3

About 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid

2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 151634107) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID151634107
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESO=C(O)c1c(N2CCOCC2)nc2ccc(-c3ccccc3C(F)(F)F)nn12
InChIInChI=1S/C18H15F3N4O3/c19-18(20,21)12-4-2-1-3-11(12)13-5-6-14-22-16(24-7-9-28-10-8-24)15(17(26)27)25(14)23-13/h1-6H,7-10H2,(H,26,27)
InChIKeyQRDGMOTTYDQMJH-UHFFFAOYSA-N
XLogP2.95
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 151634107) is 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid is O=C(O)c1c(N2CCOCC2)nc2ccc(-c3ccccc3C(F)(F)F)nn12.
What is the InChIKey of 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is QRDGMOTTYDQMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c19-18(20,21)12-4-2-1-3-11(12)13-5-6-14-22-16(24-7-9-28-10-8-24)15(17(26)27)25(14)23-13/h1-6H,7-10H2,(H,26,27).
What are the key properties of 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid?
2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 392.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 151634107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).