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

C94H94N38O8S5 — CID 157197768

About 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

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 (PubChem CID 157197768) has the molecular formula C94H94N38O8S5 and a molecular weight of 2044.38 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157197768
• Molecular Formula: C94H94N38O8S5
• Molecular Weight: 2044.38 g/mol
• Exact Mass: 2042.67
• IUPAC Name: 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
• SMILES: CC(C)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CC(C)Oc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CN(C)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCOCC5)cn34)ccc2n1)C1CC1
• InChI: InChI=1S/C20H20N8O2S.C19H20N8OS.C19H19N7O2S.C18H18N8OS.C18H17N7O2S/c29-19(13-1-2-13)22-15-12-28-16(21-15)5-6-18(25-28)31-20-24-23-17-4-3-14(11-27(17)20)26-7-9-30-10-8-26;1-11(2)20-13-5-6-16-23-24-19(26(16)9-13)29-17-8-7-15-21-14(10-27(15)25-17)22-18(28)12-3-4-12;1-11(2)28-13-5-6-16-22-23-19(25(16)9-13)29-17-8-7-15-20-14(10-26(15)24-17)21-18(27)12-3-4-12;1-24(2)12-5-6-15-21-22-18(25(15)9-12)28-16-8-7-14-19-13(10-26(14)23-16)20-17(27)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/h3-6,11-13H,1-2,7-10H2,(H,22,29);5-12,20H,3-4H2,1-2H3,(H,22,28);5-12H,3-4H2,1-2H3,(H,21,27);5-11H,3-4H2,1-2H3,(H,20,27);5-11H,2-4H2,1H3,(H,20,26)
• InChIKey: AQLGFYDYVCDTPI-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 493.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.38
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)Nc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CC(C)Oc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CCOc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.CN(C)c1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1.O=C(Nc1cn2nc(Sc3nnc4ccc(N5CCOCC5)cn34)ccc2n1)C1CC1.

What is the InChIKey of 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?

The InChIKey is AQLGFYDYVCDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2S.C19H20N8OS.C19H19N7O2S.C18H18N8OS.C18H17N7O2S/c29-19(13-1-2-13)22-15-12-28-16(21-15)5-6-18(25-28)31-20-24-23-17-4-3-14(11-27(17)20)26-7-9-30-10-8-26;1-11(2)20-13-5-6-16-23-24-19(26(16)9-13)29-17-8-7-15-21-14(10-27(15)25-17)22-18(28)12-3-4-12;1-11(2)28-13-5-6-16-22-23-19(25(16)9-13)29-17-8-7-15-20-14(10-26(15)24-17)21-18(27)12-3-4-12;1-24(2)12-5-6-15-21-22-18(25(15)9-12)28-16-8-7-14-19-13(10-26(14)23-16)20-17(27)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/h3-6,11-13H,1-2,7-10H2,(H,22,29);5-12,20H,3-4H2,1-2H3,(H,22,28);5-12H,3-4H2,1-2H3,(H,21,27);5-11H,3-4H2,1-2H3,(H,20,27);5-11H,2-4H2,1H3,(H,20,26).

What are the key properties of 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?

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 has a molecular weight of 2044.38 g/mol, XLogP of 13.27, 28 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157197768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).