N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol

C116H96N54O2S9 — CID 158812871

IUPACN-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol
SMILESCNc1ccc2nnc(Sc3ccc4nccc(Sc5nnc6ccc(NC)nn56)c4c3)n2n1.CNc1ccc2nnc(Sc3ccc4nccc(Sc5nncn5C)c4c3)n2n1.CNc1ccc2nnc(Sc3ccc4ncccc4c3-c3cnn(C)c3)n2n1.CNc1ccc2nnc(Sc3ccnc4ccc(Sc5nncn5C)cc34)n2n1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(OCCO)c5c4)n3n2)cn1.Cn1cc(-c2cnc3[nH]cc(Sc4nnc5ccc(-c6cnn(C)c6)nn45)c3c2)cn1
InChIInChI=1S/C21H17N11S2.C20H16N10S.C20H17N7O2S.C19H16N8S.2C18H15N9S2/c1-22-16-5-7-18-25-27-20(31(18)29-16)33-12-3-4-14-13(11-12)15(9-10-24-14)34-21-28-26-19-8-6-17(23-2)30-32(19)21;1-28-10-13(7-23-28)12-5-15-17(9-22-19(15)21-6-12)31-20-26-25-18-4-3-16(27-30(18)20)14-8-24-29(2)11-14;1-26-12-13(11-22-26)16-4-5-19-23-24-20(27(19)25-16)30-14-2-3-17-15(10-14)18(6-7-21-17)29-9-8-28;1-20-16-7-8-17-23-24-19(27(17)25-16)28-15-6-5-14-13(4-3-9-21-14)18(15)12-10-22-26(2)11-12;1-19-15-5-6-16-22-24-18(27(16)25-15)28-11-3-4-13-12(9-11)14(7-8-20-13)29-17-23-21-10-26(17)2;1-19-15-5-6-16-22-24-18(27(16)25-15)29-14-7-8-20-13-4-3-11(9-12(13)14)28-17-23-21-10-26(17)2/h3-11H,1-2H3,(H,22,29)(H,23,30);3-11H,1-2H3,(H,21,22);2-7,10-12,28H,8-9H2,1H3;3-11H,1-2H3,(H,20,25);2*3-10H,1-2H3,(H,19,25)
InChIKeyIUXDZWRBXOKJAE-UHFFFAOYSA-N
MW2567.02 g/mol
LogP18.60
Rot. Bonds30

About N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol

N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol (PubChem CID 158812871) has the molecular formula C116H96N54O2S9 and a molecular weight of 2567.02 g/mol. Its IUPAC name is N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol.

Molecular Properties

Compound NameN-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol
PubChem CID158812871
Molecular FormulaC116H96N54O2S9
Molecular Weight2567.02 g/mol
Exact Mass2564.66
IUPAC NameN-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol
SMILESCNc1ccc2nnc(Sc3ccc4nccc(Sc5nnc6ccc(NC)nn56)c4c3)n2n1.CNc1ccc2nnc(Sc3ccc4nccc(Sc5nncn5C)c4c3)n2n1.CNc1ccc2nnc(Sc3ccc4ncccc4c3-c3cnn(C)c3)n2n1.CNc1ccc2nnc(Sc3ccnc4ccc(Sc5nncn5C)cc34)n2n1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(OCCO)c5c4)n3n2)cn1.Cn1cc(-c2cnc3[nH]cc(Sc4nnc5ccc(-c6cnn(C)c6)nn45)c3c2)cn1
InChIInChI=1S/C21H17N11S2.C20H16N10S.C20H17N7O2S.C19H16N8S.2C18H15N9S2/c1-22-16-5-7-18-25-27-20(31(18)29-16)33-12-3-4-14-13(11-12)15(9-10-24-14)34-21-28-26-19-8-6-17(23-2)30-32(19)21;1-28-10-13(7-23-28)12-5-15-17(9-22-19(15)21-6-12)31-20-26-25-18-4-3-16(27-30(18)20)14-8-24-29(2)11-14;1-26-12-13(11-22-26)16-4-5-19-23-24-20(27(19)25-16)30-14-2-3-17-15(10-14)18(6-7-21-17)29-9-8-28;1-20-16-7-8-17-23-24-19(27(17)25-16)28-15-6-5-14-13(4-3-9-21-14)18(15)12-10-22-26(2)11-12;1-19-15-5-6-16-22-24-18(27(16)25-15)28-11-3-4-13-12(9-11)14(7-8-20-13)29-17-23-21-10-26(17)2;1-19-15-5-6-16-22-24-18(27(16)25-15)29-14-7-8-20-13-4-3-11(9-12(13)14)28-17-23-21-10-26(17)2/h3-11H,1-2H3,(H,22,29)(H,23,30);3-11H,1-2H3,(H,21,22);2-7,10-12,28H,8-9H2,1H3;3-11H,1-2H3,(H,20,25);2*3-10H,1-2H3,(H,19,25)
InChIKeyIUXDZWRBXOKJAE-UHFFFAOYSA-N
XLogP18.60
TPSA617.00 Ų
H-Bond Donors7
H-Bond Acceptors64
Rotatable Bonds30
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002567.02
LogP ≤ 518.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1064

Analyze N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
The IUPAC name of N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol (CID 158812871) is N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol.
What is the SMILES notation for N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
The canonical SMILES for N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol is CNc1ccc2nnc(Sc3ccc4nccc(Sc5nnc6ccc(NC)nn56)c4c3)n2n1.CNc1ccc2nnc(Sc3ccc4nccc(Sc5nncn5C)c4c3)n2n1.CNc1ccc2nnc(Sc3ccc4ncccc4c3-c3cnn(C)c3)n2n1.CNc1ccc2nnc(Sc3ccnc4ccc(Sc5nncn5C)cc34)n2n1.Cn1cc(-c2ccc3nnc(Sc4ccc5nccc(OCCO)c5c4)n3n2)cn1.Cn1cc(-c2cnc3[nH]cc(Sc4nnc5ccc(-c6cnn(C)c6)nn45)c3c2)cn1.
What is the InChIKey of N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
The InChIKey is IUXDZWRBXOKJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N11S2.C20H16N10S.C20H17N7O2S.C19H16N8S.2C18H15N9S2/c1-22-16-5-7-18-25-27-20(31(18)29-16)33-12-3-4-14-13(11-12)15(9-10-24-14)34-21-28-26-19-8-6-17(23-2)30-32(19)21;1-28-10-13(7-23-28)12-5-15-17(9-22-19(15)21-6-12)31-20-26-25-18-4-3-16(27-30(18)20)14-8-24-29(2)11-14;1-26-12-13(11-22-26)16-4-5-19-23-24-20(27(19)25-16)30-14-2-3-17-15(10-14)18(6-7-21-17)29-9-8-28;1-20-16-7-8-17-23-24-19(27(17)25-16)28-15-6-5-14-13(4-3-9-21-14)18(15)12-10-22-26(2)11-12;1-19-15-5-6-16-22-24-18(27(16)25-15)28-11-3-4-13-12(9-11)14(7-8-20-13)29-17-23-21-10-26(17)2;1-19-15-5-6-16-22-24-18(27(16)25-15)29-14-7-8-20-13-4-3-11(9-12(13)14)28-17-23-21-10-26(17)2/h3-11H,1-2H3,(H,22,29)(H,23,30);3-11H,1-2H3,(H,21,22);2-7,10-12,28H,8-9H2,1H3;3-11H,1-2H3,(H,20,25);2*3-10H,1-2H3,(H,19,25).
What are the key properties of N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol?
N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol has a molecular weight of 2567.02 g/mol, XLogP of 18.60, 30 rotatable bonds, 7 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[[6-(methylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[5-(1-methylpyrazol-4-yl)quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-6-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;N-methyl-3-[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinolin-4-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-(1-methylpyrazol-4-yl)-3-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]sulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine;2-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolin-4-yl]oxyethanol is sourced from PubChem (CID 158812871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).