(4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane

C100H120BBrF12N14O11 — CID 163915425

About (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane

(4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane (PubChem CID 163915425) has the molecular formula C100H120BBrF12N14O11 and a molecular weight of 2012.84 g/mol. Its IUPAC name is (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
• PubChem CID: 163915425
• Molecular Formula: C100H120BBrF12N14O11
• Molecular Weight: 2012.84 g/mol
• Exact Mass: 2010.83
• IUPAC Name: (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(C2=CCC(C(F)(F)F)CC2)OC1(C)C.CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(C3=CCC(C(F)(F)F)CC3)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C1=CCC(C(F)(F)F)CC1.N[C@H]1CCOc2ccccc21
• InChI: InChI=1S/C27H29F3N4O2.C20H24F3N3O2.C18H20F3N3O2.C13H20BF3O2.C13H16BrN3O2.C9H11NO/c1-15(2)23-20(26(35)33-21-12-13-36-22-7-5-4-6-19(21)22)14-31-34-24(16(3)32-25(23)34)17-8-10-18(11-9-17)27(28,29)30;1-5-28-19(27)15-10-24-26-17(12(4)25-18(26)16(15)11(2)3)13-6-8-14(9-7-13)20(21,22)23;1-9(2)14-13(17(25)26)8-22-24-15(10(3)23-16(14)24)11-4-6-12(7-5-11)18(19,20)21;1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17;1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3;10-8-5-6-11-9-4-2-1-3-7(8)9/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35);6,10-11,14H,5,7-9H2,1-4H3;4,8-9,12H,5-7H2,1-3H3,(H,25,26);7,9H,5-6,8H2,1-4H3;6-7H,5H2,1-4H3;1-4,8H,5-6,10H2/t18?,21-;;;;;8-/m0....0/s1
• InChIKey: QVVFOUIPKWCCTL-VACIXEKYSA-N
• XLogP: 24.33
• TPSA: 302.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.84
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane?

The IUPAC name of (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane (CID 163915425) is (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane?

The canonical SMILES for (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC(C(F)(F)F)CC2)OC1(C)C.CCOC(=O)c1cnn2c(Br)c(C)nc2c1C(C)C.CCOC(=O)c1cnn2c(C3=CCC(C(F)(F)F)CC3)c(C)nc2c1C(C)C.Cc1nc2c(C(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnn2c1C1=CCC(C(F)(F)F)CC1.Cc1nc2c(C(C)C)c(C(=O)O)cnn2c1C1=CCC(C(F)(F)F)CC1.N[C@H]1CCOc2ccccc21.

What is the InChIKey of (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane?

The InChIKey is QVVFOUIPKWCCTL-VACIXEKYSA-N. The full InChI is InChI=1S/C27H29F3N4O2.C20H24F3N3O2.C18H20F3N3O2.C13H20BF3O2.C13H16BrN3O2.C9H11NO/c1-15(2)23-20(26(35)33-21-12-13-36-22-7-5-4-6-19(21)22)14-31-34-24(16(3)32-25(23)34)17-8-10-18(11-9-17)27(28,29)30;1-5-28-19(27)15-10-24-26-17(12(4)25-18(26)16(15)11(2)3)13-6-8-14(9-7-13)20(21,22)23;1-9(2)14-13(17(25)26)8-22-24-15(10(3)23-16(14)24)11-4-6-12(7-5-11)18(19,20)21;1-11(2)12(3,4)19-14(18-11)10-7-5-9(6-8-10)13(15,16)17;1-5-19-13(18)9-6-15-17-11(14)8(4)16-12(17)10(9)7(2)3;10-8-5-6-11-9-4-2-1-3-7(8)9/h4-8,14-15,18,21H,9-13H2,1-3H3,(H,33,35);6,10-11,14H,5,7-9H2,1-4H3;4,8-9,12H,5-7H2,1-3H3,(H,25,26);7,9H,5-6,8H2,1-4H3;6-7H,5H2,1-4H3;1-4,8H,5-6,10H2/t18?,21-;;;;;8-/m0....0/s1.

What are the key properties of (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane?

(4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane has a molecular weight of 2012.84 g/mol, XLogP of 24.33, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3,4-dihydro-2H-chromen-4-amine;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxamide;ethyl 3-bromo-2-methyl-8-propan-2-ylimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylate;2-methyl-8-propan-2-yl-3-[4-(trifluoromethyl)cyclohexen-1-yl]imidazo[1,2-b]pyridazine-7-carboxylic acid;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 163915425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).