6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C138H105F33N38O6 — CID 159067961

IUPAC6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CCC4)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)cn3)nn12.CC(F)(F)c1nnc2cnc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc(C(C)(C)C#N)cc3)cn12.CC1(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)CC1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1
InChIInChI=1S/C18H15F2N5.C17H14F4N4O.C17H16FN5.C16H13F3N4O.C15H11F5N4O.C14H10F5N5O.C14H9F5N4O.C14H9F5N4.C13H8F3N3O/c1-17(19,20)16-23-22-15-8-7-14(24-25(15)16)12-3-5-13(6-4-12)18(11-21)9-2-10-18;1-16(18,19)15-23-22-14-7-6-13(24-25(14)15)10-2-4-11(5-3-10)26-12-8-17(20,21)9-12;1-11(18)16-22-21-15-8-20-14(9-23(15)16)12-4-6-13(7-5-12)17(2,3)10-19;1-15(8-9-15)14-21-20-13-7-6-12(22-23(13)14)10-2-4-11(5-3-10)24-16(17,18)19;1-8-5-9(25-15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-13(15,16)12-22-21-11-5-4-10(23-24(11)12)9-3-2-8(6-20-9)25-7-14(17,18)19;1-13(15,16)12-22-21-11-6-20-10(7-23(11)12)8-2-4-9(5-3-8)24-14(17,18)19;1-13(15,16)12-22-21-11-6-20-10(7-23(11)12)8-2-4-9(5-3-8)14(17,18)19;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10/h3-8H,2,9-10H2,1H3;2-7,12H,8-9H2,1H3;4-9,11H,1-3H3;2-7H,8-9H2,1H3;3-7H,1-2H3;2-6H,7H2,1H3;2-7H,1H3;2-7H,1H3;1-8H
InChIKeyJZHHXARTPVRSHC-UHFFFAOYSA-N
MW3018.55 g/mol
LogP33.66
Rot. Bonds27

About 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 159067961) has the molecular formula C138H105F33N38O6 and a molecular weight of 3018.55 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID159067961
Molecular FormulaC138H105F33N38O6
Molecular Weight3018.55 g/mol
Exact Mass3016.86
IUPAC Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CCC4)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)cn3)nn12.CC(F)(F)c1nnc2cnc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc(C(C)(C)C#N)cc3)cn12.CC1(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)CC1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1
InChIInChI=1S/C18H15F2N5.C17H14F4N4O.C17H16FN5.C16H13F3N4O.C15H11F5N4O.C14H10F5N5O.C14H9F5N4O.C14H9F5N4.C13H8F3N3O/c1-17(19,20)16-23-22-15-8-7-14(24-25(15)16)12-3-5-13(6-4-12)18(11-21)9-2-10-18;1-16(18,19)15-23-22-14-7-6-13(24-25(14)15)10-2-4-11(5-3-10)26-12-8-17(20,21)9-12;1-11(18)16-22-21-15-8-20-14(9-23(15)16)12-4-6-13(7-5-12)17(2,3)10-19;1-15(8-9-15)14-21-20-13-7-6-12(22-23(13)14)10-2-4-11(5-3-10)24-16(17,18)19;1-8-5-9(25-15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-13(15,16)12-22-21-11-5-4-10(23-24(11)12)9-3-2-8(6-20-9)25-7-14(17,18)19;1-13(15,16)12-22-21-11-6-20-10(7-23(11)12)8-2-4-9(5-3-8)24-14(17,18)19;1-13(15,16)12-22-21-11-6-20-10(7-23(11)12)8-2-4-9(5-3-8)14(17,18)19;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10/h3-8H,2,9-10H2,1H3;2-7,12H,8-9H2,1H3;4-9,11H,1-3H3;2-7H,8-9H2,1H3;3-7H,1-2H3;2-6H,7H2,1H3;2-7H,1H3;2-7H,1H3;1-8H
InChIKeyJZHHXARTPVRSHC-UHFFFAOYSA-N
XLogP33.66
TPSA490.68 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003018.55
LogP ≤ 533.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 159067961) is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is CC(F)(F)c1nnc2ccc(-c3ccc(C4(C#N)CCC4)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OC4CC(F)(F)C4)cc3)nn12.CC(F)(F)c1nnc2ccc(-c3ccc(OCC(F)(F)F)cn3)nn12.CC(F)(F)c1nnc2cnc(-c3ccc(C(F)(F)F)cc3)cn12.CC(F)(F)c1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.CC(F)c1nnc2cnc(-c3ccc(C(C)(C)C#N)cc3)cn12.CC1(c2nnc3ccc(-c4ccc(OC(F)(F)F)cc4)nn23)CC1.Cc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nnc2cn1.FC(F)(F)Oc1ccc(-c2cnc3nccn3c2)cc1.
What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is JZHHXARTPVRSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5.C17H14F4N4O.C17H16FN5.C16H13F3N4O.C15H11F5N4O.C14H10F5N5O.C14H9F5N4O.C14H9F5N4.C13H8F3N3O/c1-17(19,20)16-23-22-15-8-7-14(24-25(15)16)12-3-5-13(6-4-12)18(11-21)9-2-10-18;1-16(18,19)15-23-22-14-7-6-13(24-25(14)15)10-2-4-11(5-3-10)26-12-8-17(20,21)9-12;1-11(18)16-22-21-15-8-20-14(9-23(15)16)12-4-6-13(7-5-12)17(2,3)10-19;1-15(8-9-15)14-21-20-13-7-6-12(22-23(13)14)10-2-4-11(5-3-10)24-16(17,18)19;1-8-5-9(25-15(18,19)20)3-4-10(8)11-7-24-12(6-21-11)22-23-13(24)14(2,16)17;1-13(15,16)12-22-21-11-5-4-10(23-24(11)12)9-3-2-8(6-20-9)25-7-14(17,18)19;1-13(15,16)12-22-21-11-6-20-10(7-23(11)12)8-2-4-9(5-3-8)24-14(17,18)19;1-13(15,16)12-22-21-11-6-20-10(7-23(11)12)8-2-4-9(5-3-8)14(17,18)19;14-13(15,16)20-11-3-1-9(2-4-11)10-7-18-12-17-5-6-19(12)8-10/h3-8H,2,9-10H2,1H3;2-7,12H,8-9H2,1H3;4-9,11H,1-3H3;2-7H,8-9H2,1H3;3-7H,1-2H3;2-6H,7H2,1H3;2-7H,1H3;2-7H,1H3;1-8H.
What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 3018.55 g/mol, XLogP of 33.66, 27 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;2-[4-[3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyrazin-6-yl]phenyl]-2-methylpropanenitrile;3-(1-methylcyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 159067961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).