tert-butyl 4-(2-acetamido-6-(6-chloro-5-(3-(difluoromethoxy)phenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate

HCID 57749439
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Basic information

Standard SMILES
CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(OC(F)F)c4)c3)nn2c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIKey
IJNUKTNWXJMZIU-UHFFFAOYSA-N
Molecular formula
C30H30ClF2N7O6S
Average molar mass
690.1 g/mol
Monoisotopic mass
689.1634869

Names & identifiers

Preferred name
tert-butyl 4-(2-acetamido-6-(6-chloro-5-(3-(difluoromethoxy)phenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate
IUPAC
tert-butyl 4-[2-acetamido-6-[6-chloro-5-[[3-(difluoromethoxy)phenyl]sulfonylamino]-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Names & synonyms

tert-butyl 4-(2-acetamido-6-(6-chloro-5-(3-(difluoromethoxy)phenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl)-5,6-dihydropyridine-1(2H)-carboxylateSCHEMBL2957127

Database identifiers

PubChem CID
57749439

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
166 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
12
Rotatable bonds
10
Heavy atoms
47

Related reactions

3 records
New reaction record

Compound notes

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tert-butyl 4-(2-acetamido-6-(6-chloro-5-(3-(difluoromethoxy)phenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-3-yl)-5,6-dihydropyridine-1(2H)-carboxylate (HCID 57749439)｜Huagongshe