3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide

C18H14Cl3F2N5O5S — CID 171552629

IUPAC3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC1(NC(=O)c2nc3cc(Cl)c(Oc4ncc(Cl)cc4OCC(F)F)nn3c2Cl)CS(=O)(=O)C1
InChIInChI=1S/C18H14Cl3F2N5O5S/c1-18(6-34(30,31)7-18)26-15(29)13-14(21)28-12(25-13)3-9(20)16(27-28)33-17-10(32-5-11(22)23)2-8(19)4-24-17/h2-4,11H,5-7H2,1H3,(H,26,29)
InChIKeyQIJYHKXIQDUNLD-UHFFFAOYSA-N
MW556.76 g/mol
LogP3.44
Rot. Bonds7

About 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide

3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 171552629) has the molecular formula C18H14Cl3F2N5O5S and a molecular weight of 556.76 g/mol. Its IUPAC name is 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID171552629
Molecular FormulaC18H14Cl3F2N5O5S
Molecular Weight556.76 g/mol
Exact Mass554.97
IUPAC Name3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCC1(NC(=O)c2nc3cc(Cl)c(Oc4ncc(Cl)cc4OCC(F)F)nn3c2Cl)CS(=O)(=O)C1
InChIInChI=1S/C18H14Cl3F2N5O5S/c1-18(6-34(30,31)7-18)26-15(29)13-14(21)28-12(25-13)3-9(20)16(27-28)33-17-10(32-5-11(22)23)2-8(19)4-24-17/h2-4,11H,5-7H2,1H3,(H,26,29)
InChIKeyQIJYHKXIQDUNLD-UHFFFAOYSA-N
XLogP3.44
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide with MolForge

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Related Compounds

6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-8-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 171552811
5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655253
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-8-fluoro-5-methyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553153
5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1-oxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655512
6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552778
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553076
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-7-methylimidazo[1,2-b]pyridazine-2-carboxylic acid
CID 171552895
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)-7-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 176911215
5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-[(3-fluorooxetan-3-yl)methyl]-N-(4-methylthian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
CID 171655441
3-chloro-5-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 171553206
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553169
6-[3-(2,2-difluoroethoxy)pyrazin-2-yl]oxy-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553045

Frequently Asked Questions

What is the IUPAC name of 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 171552629) is 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide is CC1(NC(=O)c2nc3cc(Cl)c(Oc4ncc(Cl)cc4OCC(F)F)nn3c2Cl)CS(=O)(=O)C1.
What is the InChIKey of 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is QIJYHKXIQDUNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3F2N5O5S/c1-18(6-34(30,31)7-18)26-15(29)13-14(21)28-12(25-13)3-9(20)16(27-28)33-17-10(32-5-11(22)23)2-8(19)4-24-17/h2-4,11H,5-7H2,1H3,(H,26,29).
What are the key properties of 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide?
3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 556.76 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dichloro-6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 171552629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).