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

C19H18ClF2N5O5S — CID 171552811

IUPAC6-[[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
SMILESCc1cc(Oc2ncc(Cl)cc2OCC(F)F)nn2cc(C(=O)NC3(C)CS(=O)(=O)C3)nc12
InChIInChI=1S/C19H18ClF2N5O5S/c1-10-3-15(32-18-13(31-7-14(21)22)4-11(20)5-23-18)26-27-6-12(24-16(10)27)17(28)25-19(2)8-33(29,30)9-19/h3-6,14H,7-9H2,1-2H3,(H,25,28)
InChIKeyWAKAOHXVFWWACQ-UHFFFAOYSA-N
MW501.90 g/mol
LogP2.44
Rot. Bonds7

About 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

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 (PubChem CID 171552811) has the molecular formula C19H18ClF2N5O5S and a molecular weight of 501.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID171552811
Molecular FormulaC19H18ClF2N5O5S
Molecular Weight501.90 g/mol
Exact Mass501.07
IUPAC Name6-[[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
SMILESCc1cc(Oc2ncc(Cl)cc2OCC(F)F)nn2cc(C(=O)NC3(C)CS(=O)(=O)C3)nc12
InChIInChI=1S/C19H18ClF2N5O5S/c1-10-3-15(32-18-13(31-7-14(21)22)4-11(20)5-23-18)26-27-6-12(24-16(10)27)17(28)25-19(2)8-33(29,30)9-19/h3-6,14H,7-9H2,1-2H3,(H,25,28)
InChIKeyWAKAOHXVFWWACQ-UHFFFAOYSA-N
XLogP2.44
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.90
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552605
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552814
6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552866
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553050
6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553071
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553093
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553118
6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 172652610
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 176030744
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176039438
6-[(3-ethoxy-2-pyridinyl)oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176911200
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176911217

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Oc2ncc(Cl)cc2OCC(F)F)nn2cc(C(=O)NC3(C)CS(=O)(=O)C3)nc12.
What is the InChIKey of 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?
The InChIKey is WAKAOHXVFWWACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N5O5S/c1-10-3-15(32-18-13(31-7-14(21)22)4-11(20)5-23-18)26-27-6-12(24-16(10)27)17(28)25-19(2)8-33(29,30)9-19/h3-6,14H,7-9H2,1-2H3,(H,25,28).
What are the key properties of 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?
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 has a molecular weight of 501.90 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171552811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).