N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

C92H89N35O12S8 — CID 161122541

IUPACN-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCS(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCSc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.COCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(OCCCO)cn34)ccc2n1)C1CC1
InChIInChI=1S/2C19H19N7O3S.C18H17N7O3S2.C18H17N7O2S2.C18H17N7OS2/c1-28-8-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(27)12-2-3-12;27-8-1-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(28)12-2-3-12;1-2-30(27,28)12-5-6-15-21-22-18(24(15)9-12)29-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11;1-2-29(27)12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11;1-2-27-12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,27);4-7,10-12,27H,1-3,8-9H2,(H,21,28);5-11H,2-4H2,1H3,(H,20,26);5-11H,2-4H2,1H3,(H,20,26);5-11H,2-4H2,1H3,(H,20,26)
InChIKeyULDFRDSAFXLYOW-UHFFFAOYSA-N
MW2133.49 g/mol
LogP12.18
Rot. Bonds34

About N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (PubChem CID 161122541) has the molecular formula C92H89N35O12S8 and a molecular weight of 2133.49 g/mol. Its IUPAC name is N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
PubChem CID161122541
Molecular FormulaC92H89N35O12S8
Molecular Weight2133.49 g/mol
Exact Mass2131.52
IUPAC NameN-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCS(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCSc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.COCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(OCCCO)cn34)ccc2n1)C1CC1
InChIInChI=1S/2C19H19N7O3S.C18H17N7O3S2.C18H17N7O2S2.C18H17N7OS2/c1-28-8-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(27)12-2-3-12;27-8-1-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(28)12-2-3-12;1-2-30(27,28)12-5-6-15-21-22-18(24(15)9-12)29-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11;1-2-29(27)12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11;1-2-27-12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,27);4-7,10-12,27H,1-3,8-9H2,(H,21,28);5-11H,2-4H2,1H3,(H,20,26);5-11H,2-4H2,1H3,(H,20,26);5-11H,2-4H2,1H3,(H,20,26)
InChIKeyULDFRDSAFXLYOW-UHFFFAOYSA-N
XLogP12.18
TPSA546.53 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds34
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002133.49
LogP ≤ 512.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 59233127
N-[6-[[6-(1H-imidazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-thiophen-3-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 157072889
N-[6-[[6-(dimethylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-morpholin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(propan-2-ylamino)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-propan-2-yloxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 157197768
1-[2-[[5-(2-Hydroxyethylsulfanyl)-3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[1,5-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(2-hydroxyethylsulfanyl)-3-([1,2,4]triazolo[4,3-a]pyridin-8-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-(3-methylimidazol-4-yl)oxy-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[3-[(4-methyl-1,2,4-triazol-3-yl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
CID 161061850

Frequently Asked Questions

What is the IUPAC name of N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (CID 161122541) is N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is CCS(=O)(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCS(=O)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCSc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.COCCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(OCCCO)cn34)ccc2n1)C1CC1.
What is the InChIKey of N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
The InChIKey is ULDFRDSAFXLYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19N7O3S.C18H17N7O3S2.C18H17N7O2S2.C18H17N7OS2/c1-28-8-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(27)12-2-3-12;27-8-1-9-29-13-4-5-16-22-23-19(25(16)10-13)30-17-7-6-15-20-14(11-26(15)24-17)21-18(28)12-2-3-12;1-2-30(27,28)12-5-6-15-21-22-18(24(15)9-12)29-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11;1-2-29(27)12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11;1-2-27-12-5-6-15-21-22-18(24(15)9-12)28-16-8-7-14-19-13(10-25(14)23-16)20-17(26)11-3-4-11/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,27);4-7,10-12,27H,1-3,8-9H2,(H,21,28);5-11H,2-4H2,1H3,(H,20,26);5-11H,2-4H2,1H3,(H,20,26);5-11H,2-4H2,1H3,(H,20,26).
What are the key properties of N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide?
N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide has a molecular weight of 2133.49 g/mol, XLogP of 12.18, 34 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(6-ethylsulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfinyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[(6-ethylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(3-hydroxypropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-(2-methoxyethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 161122541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).