3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane

C69H80BrN17O9S2 — CID 163718051

About 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane

3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane (PubChem CID 163718051) has the molecular formula C69H80BrN17O9S2 and a molecular weight of 1435.55 g/mol. Its IUPAC name is 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane.

Molecular Properties

• Compound Name: 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane
• PubChem CID: 163718051
• Molecular Formula: C69H80BrN17O9S2
• Molecular Weight: 1435.55 g/mol
• Exact Mass: 1433.49
• IUPAC Name: 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane
• SMILES: CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(C#N)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C#N.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C#N.N[C@H]1CCOc2ccccc21.S.S
• InChI: InChI=1S/C21H21N5O2.C14H16N4O2.C13H16BrN3O2.C12H12N4O2.C9H11NO.2H2S/c1-12(2)19-15(11-23-26-17(10-22)13(3)24-20(19)26)21(27)25-16-8-9-28-18-7-5-4-6-14(16)18;1-5-20-14(19)10-7-16-18-11(6-15)9(4)17-13(18)12(10)8(2)3;1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3;1-6(2)10-8(12(17)18)5-14-16-9(4-13)7(3)15-11(10)16;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h4-7,11-12,16H,8-9H2,1-3H3,(H,25,27);7-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-3H3,(H,17,18);1-4,8H,5-6,10H2;2*1H2/t16-;;;;8-;;/m0...0../s1
• InChIKey: KPBSGEJIAPXSDE-WTHGVKMLSA-N
• XLogP: 12.02
• TPSA: 355.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.55
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane?

The IUPAC name of 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane (CID 163718051) is 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane.

What is the SMILES notation for 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane?

The canonical SMILES for 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane is CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(C#N)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C#N.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C#N.N[C@H]1CCOc2ccccc21.S.S.

What is the InChIKey of 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane?

The InChIKey is KPBSGEJIAPXSDE-WTHGVKMLSA-N. The full InChI is InChI=1S/C21H21N5O2.C14H16N4O2.C13H16BrN3O2.C12H12N4O2.C9H11NO.2H2S/c1-12(2)19-15(11-23-26-17(10-22)13(3)24-20(19)26)21(27)25-16-8-9-28-18-7-5-4-6-14(16)18;1-5-20-14(19)10-7-16-18-11(6-15)9(4)17-13(18)12(10)8(2)3;1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3;1-6(2)10-8(12(17)18)5-14-16-9(4-13)7(3)15-11(10)16;10-8-5-6-11-9-4-2-1-3-7(8)9;;/h4-7,11-12,16H,8-9H2,1-3H3,(H,25,27);7-8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-3H3,(H,17,18);1-4,8H,5-6,10H2;2*1H2/t16-;;;;8-;;/m0...0../s1.

What are the key properties of 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane?

3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane has a molecular weight of 1435.55 g/mol, XLogP of 12.02, 11 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxamide;3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-cyano-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;sulfane is sourced from PubChem (CID 163718051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).