7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C111H93Cl3F33N35O7 — CID 158044212

IUPAC7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2cc(Cl)c(-c3ccc(OC(C)(C)C(F)(F)F)nc3)nn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)nc3)cn12.C[C@@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.C[C@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(C)(C)C(F)(F)F)nc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(O[C@@H](C)C(F)(F)F)nc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(O[C@H](C)C(F)(F)F)nc1
InChIInChI=1S/C17H16F5N5O.C16H13ClF5N5O.2C16H14F5N5O.C16H14F3N5O.2C15H11ClF5N5O/c1-9-7-11-24-25-14(16(4,18)19)27(11)26-13(9)10-5-6-12(23-8-10)28-15(2,3)17(20,21)22;1-14(2,16(20,21)22)28-11-5-4-8(7-23-11)12-9(17)6-10-24-25-13(15(3,18)19)27(10)26-12;2*1-8-6-11-23-24-14(15(3,17)18)26(11)25-13(8)10-4-5-12(22-7-10)27-9(2)16(19,20)21;1-9(17)15-23-22-13-7-20-12(8-24(13)15)10-2-3-14(21-6-10)25-11-4-16(18,19)5-11;2*1-7(15(19,20)21)27-11-4-3-8(6-22-11)12-9(16)5-10-23-24-13(14(2,17)18)26(10)25-12/h5-8H,1-4H3;4-7H,1-3H3;2*4-7,9H,1-3H3;2-3,6-9,11H,4-5H2,1H3;2*3-7H,1-2H3/t;;2*9-;;2*7-/m..10.10/s1
InChIKeyFISCZMKUIMXEDI-CSPGCJLUSA-N
MW2762.50 g/mol
LogP28.82
Rot. Bonds28

About 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 158044212) has the molecular formula C111H93Cl3F33N35O7 and a molecular weight of 2762.50 g/mol. Its IUPAC name is 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID158044212
Molecular FormulaC111H93Cl3F33N35O7
Molecular Weight2762.50 g/mol
Exact Mass2759.65
IUPAC Name7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2cc(Cl)c(-c3ccc(OC(C)(C)C(F)(F)F)nc3)nn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)nc3)cn12.C[C@@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.C[C@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(C)(C)C(F)(F)F)nc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(O[C@@H](C)C(F)(F)F)nc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(O[C@H](C)C(F)(F)F)nc1
InChIInChI=1S/C17H16F5N5O.C16H13ClF5N5O.2C16H14F5N5O.C16H14F3N5O.2C15H11ClF5N5O/c1-9-7-11-24-25-14(16(4,18)19)27(11)26-13(9)10-5-6-12(23-8-10)28-15(2,3)17(20,21)22;1-14(2,16(20,21)22)28-11-5-4-8(7-23-11)12-9(17)6-10-24-25-13(15(3,18)19)27(10)26-12;2*1-8-6-11-23-24-14(15(3,17)18)26(11)25-13(8)10-4-5-12(22-7-10)27-9(2)16(19,20)21;1-9(17)15-23-22-13-7-20-12(8-24(13)15)10-2-3-14(21-6-10)25-11-4-16(18,19)5-11;2*1-7(15(19,20)21)27-11-4-3-8(6-22-11)12-9(16)5-10-23-24-13(14(2,17)18)26(10)25-12/h5-8H,1-4H3;4-7H,1-3H3;2*4-7,9H,1-3H3;2-3,6-9,11H,4-5H2,1H3;2*3-7H,1-2H3/t;;2*9-;;2*7-/m..10.10/s1
InChIKeyFISCZMKUIMXEDI-CSPGCJLUSA-N
XLogP28.82
TPSA456.40 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002762.50
LogP ≤ 528.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-[5-Fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;6-(4-propan-2-yloxyphenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362320
3-(1,1-Difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
CID 142362322
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(3-fluoropropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362325
Ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362380
6-[6-(3,3-Difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362383
3-(4-Fluorophenoxy)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362399
3-(1,1-Difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;6-[4-(methoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362405
3-(1,1-Difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;6-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362418
3-(1,1-Difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362426
6-[6-(3,3-Difluorobutan-2-yloxy)-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;2,2-difluoro-3-methylpentane;6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;sulfane
CID 142362471
Ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362507
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362516

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 158044212) is 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2cc(Cl)c(-c3ccc(OC(C)(C)C(F)(F)F)nc3)nn12.CC(F)c1nnc2cnc(-c3ccc(OC4CC(F)(F)C4)nc3)cn12.C[C@@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.C[C@H](Oc1ccc(-c2nn3c(C(C)(F)F)nnc3cc2Cl)cn1)C(F)(F)F.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(OC(C)(C)C(F)(F)F)nc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(O[C@@H](C)C(F)(F)F)nc1.Cc1cc2nnc(C(C)(F)F)n2nc1-c1ccc(O[C@H](C)C(F)(F)F)nc1.
What is the InChIKey of 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FISCZMKUIMXEDI-CSPGCJLUSA-N. The full InChI is InChI=1S/C17H16F5N5O.C16H13ClF5N5O.2C16H14F5N5O.C16H14F3N5O.2C15H11ClF5N5O/c1-9-7-11-24-25-14(16(4,18)19)27(11)26-13(9)10-5-6-12(23-8-10)28-15(2,3)17(20,21)22;1-14(2,16(20,21)22)28-11-5-4-8(7-23-11)12-9(17)6-10-24-25-13(15(3,18)19)27(10)26-12;2*1-8-6-11-23-24-14(15(3,17)18)26(11)25-13(8)10-4-5-12(22-7-10)27-9(2)16(19,20)21;1-9(17)15-23-22-13-7-20-12(8-24(13)15)10-2-3-14(21-6-10)25-11-4-16(18,19)5-11;2*1-7(15(19,20)21)27-11-4-3-8(6-22-11)12-9(16)5-10-23-24-13(14(2,17)18)26(10)25-12/h5-8H,1-4H3;4-7H,1-3H3;2*4-7,9H,1-3H3;2-3,6-9,11H,4-5H2,1H3;2*3-7H,1-2H3/t;;2*9-;;2*7-/m..10.10/s1.
What are the key properties of 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 2762.50 g/mol, XLogP of 28.82, 28 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1,1-difluoroethyl)-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-3-(1,1-difluoroethyl)-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-(1,1,1-trifluoro-2-methylpropan-2-yl)oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-7-methyl-6-[6-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 158044212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).