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

C75H59N31O5S6 — CID 157072889

IUPACN-[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
SMILESCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccsc5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cnc[nH]5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cscn5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C20H15N7OS2.C19H15N9OS.C19H14N8OS2.C17H15N7O2S/c28-19(12-1-2-12)22-15-10-27-16(21-15)5-6-18(25-27)30-20-24-23-17-4-3-13(9-26(17)20)14-7-8-29-11-14;29-18(11-1-2-11)23-14-9-28-15(22-14)5-6-17(26-28)30-19-25-24-16-4-3-12(8-27(16)19)13-7-20-10-21-13;28-18(11-1-2-11)22-14-8-27-15(21-14)5-6-17(25-27)30-19-24-23-16-4-3-12(7-26(16)19)13-9-29-10-20-13;1-26-11-4-5-14-20-21-17(23(14)8-11)27-15-7-6-13-18-12(9-24(13)22-15)19-16(25)10-2-3-10/h3-12H,1-2H2,(H,22,28);3-11H,1-2H2,(H,20,21)(H,23,29);3-11H,1-2H2,(H,22,28);4-10H,2-3H2,1H3,(H,19,25)
InChIKeyACQGQRBUBKWOHG-UHFFFAOYSA-N
MW1666.91 g/mol
LogP12.34
Rot. Bonds20

About 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

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 (PubChem CID 157072889) has the molecular formula C75H59N31O5S6 and a molecular weight of 1666.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID157072889
Molecular FormulaC75H59N31O5S6
Molecular Weight1666.91 g/mol
Exact Mass1665.36
IUPAC NameN-[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
SMILESCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccsc5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cnc[nH]5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cscn5)cn34)ccc2n1)C1CC1
InChIInChI=1S/C20H15N7OS2.C19H15N9OS.C19H14N8OS2.C17H15N7O2S/c28-19(12-1-2-12)22-15-10-27-16(21-15)5-6-18(25-27)30-20-24-23-17-4-3-13(9-26(17)20)14-7-8-29-11-14;29-18(11-1-2-11)23-14-9-28-15(22-14)5-6-17(26-28)30-19-25-24-16-4-3-12(8-27(16)19)13-7-20-10-21-13;28-18(11-1-2-11)22-14-8-27-15(21-14)5-6-17(25-27)30-19-24-23-16-4-3-12(7-26(16)19)13-9-29-10-20-13;1-26-11-4-5-14-20-21-17(23(14)8-11)27-15-7-6-13-18-12(9-24(13)22-15)19-16(25)10-2-3-10/h3-12H,1-2H2,(H,22,28);3-11H,1-2H2,(H,20,21)(H,23,29);3-11H,1-2H2,(H,22,28);4-10H,2-3H2,1H3,(H,19,25)
InChIKeyACQGQRBUBKWOHG-UHFFFAOYSA-N
XLogP12.34
TPSA408.72 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.91
LogP ≤ 512.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Related Compounds

1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-3-(2-methylpropyl)pyridin-2-one;bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 158492333
1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-3-(2-methylpropyl)pyridin-2-one;bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 158807725
bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;5-methyl-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;5-methyl-3-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 160723225
bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;5-methyl-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 163496963
2-[3-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-1H-pyrazol-5-yl]-5-piperazin-1-yl-1,3-thiazole
CID 156321770
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-cyclopropyl-4,6-dimethylpyrrolo[2,3-b]pyridine;1-cyclopropyl-4-methylpyrazolo[3,4-b]pyridine;1-cyclopropyl-4-methylpyrrolo[2,3-b]pyridine;2,4-dimethyl-7H-cyclopenta[b]pyridine;5,6-dimethyl-[1,3]oxazolo[4,5-b]pyrazine;1,4-dimethylpyrazolo[3,4-b]pyridine;1,4-dimethylpyrrolo[2,3-b]pyridine;2,4-dimethyl-7H-pyrrolo[3,4-b]pyridine;5,6-dimethyl-[1,3]thiazolo[4,5-b]pyrazine;2,3-dimethylthieno[2,3-b]pyrazine;4-methyl-7H-cyclopenta[b]pyridine;1-methyl-5H-cyclopenta[c]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyrazine;3-methyl-[1,3]oxazolo[4,5-c]pyridazine;4-methyl-[1,3]oxazolo[4,5-d]pyridazine;4-methyl-7H-pyrrolo[3,4-b]pyridine;6-methyl-[1,3]thiazolo[4,5-b]pyrazine;7-methyl-[1,3]thiazolo[4,5-d]pyridazine;3-methylthieno[2,3-b]pyrazine;4-methylthieno[2,3-d]pyridazine;1,4,6-trimethylpyrazolo[5,4-b]pyridine;1,4,6-trimethylpyrrolo[2,3-b]pyridine
CID 157446532
5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;7-methyl-4-propan-2-yl-5H-pyrrolo[2,3-d]pyrimidin-7-ium;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 158015129
5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-8-propan-2-ylimidazo[1,2-a]pyridine;3-methyl-8-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylimidazo[4,5-b]pyridine;3-methyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrrolo[3,2-b]pyridine;7-methyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine;3-methyl-7-propan-2-ylthieno[3,2-b]pyridine;5-propan-2-ylimidazo[1,2-a]pyrazine;5-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-ylimidazo[1,2-a]pyridine;7-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyridine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-1H-pyrrolo[3,2-b]pyridine;7-propan-2-ylthieno[3,2-b]pyridine;7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 158066088
1-cyclopropyl-5,7-dimethylpyrrolo[2,3-c]pyridine;1-cyclopropyl-5-methylpyrrolo[2,3-c]pyridine;1,3-dimethyl-7H-cyclopenta[c]pyridine;5,6-dimethyl-[1,3]oxazolo[4,5-b]pyridine;1,5-dimethylpyrrolo[2,3-c]pyridine;4,6-dimethyl-3H-pyrrolo[3,4-c]pyridine;5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridine;5,6-dimethylthieno[3,2-b]pyridine;3-methyl-7H-cyclopenta[c]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyrazine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;3-methyl-7H-pyrrolo[3,4-b]pyrazine;6-methyl-3H-pyrrolo[3,4-c]pyridine;6-methyl-[1,3]thiazolo[4,5-b]pyridine;3-methyl-[1,3]thiazolo[4,5-c]pyridazine;6-methylthieno[3,2-b]pyridine;3-methylthieno[3,2-c]pyridazine;1,5,6-trimethylpyrazolo[3,4-b]pyrazine;1,5,7-trimethylpyrrolo[2,3-c]pyridine
CID 158072183
N-(2-aminophenyl)-5-[[4-[6-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[7-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(2-aminophenyl)-5-[[4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;5-[[4-(5-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide;5-[[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-methylthiophene-2-carboxamide
CID 158235573
6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,3-oxazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158500783

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5ccsc5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cnc[nH]5)cn34)ccc2n1)C1CC1.O=C(Nc1cn2nc(Sc3nnc4ccc(-c5cscn5)cn34)ccc2n1)C1CC1.
What is the InChIKey of 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?
The InChIKey is ACQGQRBUBKWOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7OS2.C19H15N9OS.C19H14N8OS2.C17H15N7O2S/c28-19(12-1-2-12)22-15-10-27-16(21-15)5-6-18(25-27)30-20-24-23-17-4-3-13(9-26(17)20)14-7-8-29-11-14;29-18(11-1-2-11)23-14-9-28-15(22-14)5-6-17(26-28)30-19-25-24-16-4-3-12(8-27(16)19)13-7-20-10-21-13;28-18(11-1-2-11)22-14-8-27-15(21-14)5-6-17(25-27)30-19-24-23-16-4-3-12(7-26(16)19)13-9-29-10-20-13;1-26-11-4-5-14-20-21-17(23(14)8-11)27-15-7-6-13-18-12(9-24(13)22-15)19-16(25)10-2-3-10/h3-12H,1-2H2,(H,22,28);3-11H,1-2H2,(H,20,21)(H,23,29);3-11H,1-2H2,(H,22,28);4-10H,2-3H2,1H3,(H,19,25).
What are the key properties of 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?
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 has a molecular weight of 1666.91 g/mol, XLogP of 12.34, 20 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157072889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).