5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide

C23H23F3N8O3S — CID 59613273

IUPAC5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
SMILESNc1ncc(-c2ccc3ncc(-c4ccc(S(=O)(=O)NCCN5CCOCC5)nc4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C23H23F3N8O3S/c24-23(25,26)17-11-16(13-30-22(17)27)18-2-3-20-28-14-19(34(20)32-18)15-1-4-21(29-12-15)38(35,36)31-5-6-33-7-9-37-10-8-33/h1-4,11-14,31H,5-10H2,(H2,27,30)
InChIKeyAVIVMOHEYCZAMR-UHFFFAOYSA-N
MW548.55 g/mol
LogP2.06
Rot. Bonds7

About 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide

5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide (PubChem CID 59613273) has the molecular formula C23H23F3N8O3S and a molecular weight of 548.55 g/mol. Its IUPAC name is 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
PubChem CID59613273
Molecular FormulaC23H23F3N8O3S
Molecular Weight548.55 g/mol
Exact Mass548.16
IUPAC Name5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
SMILESNc1ncc(-c2ccc3ncc(-c4ccc(S(=O)(=O)NCCN5CCOCC5)nc4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C23H23F3N8O3S/c24-23(25,26)17-11-16(13-30-22(17)27)18-2-3-20-28-14-19(34(20)32-18)15-1-4-21(29-12-15)38(35,36)31-5-6-33-7-9-37-10-8-33/h1-4,11-14,31H,5-10H2,(H2,27,30)
InChIKeyAVIVMOHEYCZAMR-UHFFFAOYSA-N
XLogP2.06
TPSA140.63 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.55
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The IUPAC name of 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide (CID 59613273) is 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The canonical SMILES for 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide is Nc1ncc(-c2ccc3ncc(-c4ccc(S(=O)(=O)NCCN5CCOCC5)nc4)n3n2)cc1C(F)(F)F.
What is the InChIKey of 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The InChIKey is AVIVMOHEYCZAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O3S/c24-23(25,26)17-11-16(13-30-22(17)27)18-2-3-20-28-14-19(34(20)32-18)15-1-4-21(29-12-15)38(35,36)31-5-6-33-7-9-37-10-8-33/h1-4,11-14,31H,5-10H2,(H2,27,30).
What are the key properties of 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide has a molecular weight of 548.55 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 59613273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).