4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C138H147Cl3F10N32O10S3 — CID 159736673

About 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 159736673) has the molecular formula C138H147Cl3F10N32O10S3 and a molecular weight of 2806.45 g/mol. Its IUPAC name is 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
• PubChem CID: 159736673
• Molecular Formula: C138H147Cl3F10N32O10S3
• Molecular Weight: 2806.45 g/mol
• Exact Mass: 2803.00
• IUPAC Name: 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
• SMILES: CS(=O)(=O)CC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.CS(=O)(=O)CC1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1.CS(=O)(=O)CC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.ON=C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.[C-]#[N+]CC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.[H]/N=C(\N)C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1
• InChI: InChI=1S/C21H23F3N4O3S.C21H23F3N4O2S.C20H20ClN5.C20H23FN4O2S.C19H21ClN6.C19H19F3N4O2.C18H18ClN5O/c1-32(29,30)13-14-5-7-16(8-6-14)26-19-9-10-20-25-12-18(28(20)27-19)15-3-2-4-17(11-15)31-21(22,23)24;1-31(29,30)13-14-5-7-17(8-6-14)26-19-9-10-20-25-12-18(28(20)27-19)15-3-2-4-16(11-15)21(22,23)24;1-22-12-14-5-7-17(8-6-14)24-19-9-10-20-23-13-18(26(20)25-19)15-3-2-4-16(21)11-15;1-28(26,27)13-14-5-7-17(8-6-14)23-19-9-10-20-22-12-18(25(20)24-19)15-3-2-4-16(21)11-15;20-14-3-1-2-13(10-14)16-11-23-18-9-8-17(25-26(16)18)24-15-6-4-12(5-7-15)19(21)22;20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13;19-13-3-1-2-12(10-13)16-11-20-18-9-8-17(22-24(16)18)21-14-4-6-15(23-25)7-5-14/h2-4,9-12,14,16H,5-8,13H2,1H3,(H,26,27);2-4,9-12,14,17H,5-8,13H2,1H3,(H,26,27);2-4,9-11,13-14,17H,5-8,12H2,(H,24,25);2-4,9-12,14,17H,5-8,13H2,1H3,(H,23,24);1-3,8-12,15H,4-7H2,(H3,21,22)(H,24,25);1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-3,8-11,14,25H,4-7H2,(H,21,22)/b;;;;;;23-15-
• InChIKey: NBXUZENBDRUGRA-VLDAKIFBSA-N
• XLogP: 29.43
• TPSA: 523.47 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 40
• Rotatable Bonds: 31
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2806.45
LogP ≤ 5	29.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

The IUPAC name of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 159736673) is 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

What is the SMILES notation for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

The canonical SMILES for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is CS(=O)(=O)CC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.CS(=O)(=O)CC1CCC(Nc2ccc3ncc(-c4cccc(F)c4)n3n2)CC1.CS(=O)(=O)CC1CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.ON=C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.[C-]#[N+]CC1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.[H]/N=C(\N)C1CCC(Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)CC1.

What is the InChIKey of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

The InChIKey is NBXUZENBDRUGRA-VLDAKIFBSA-N. The full InChI is InChI=1S/C21H23F3N4O3S.C21H23F3N4O2S.C20H20ClN5.C20H23FN4O2S.C19H21ClN6.C19H19F3N4O2.C18H18ClN5O/c1-32(29,30)13-14-5-7-16(8-6-14)26-19-9-10-20-25-12-18(28(20)27-19)15-3-2-4-17(11-15)31-21(22,23)24;1-31(29,30)13-14-5-7-17(8-6-14)26-19-9-10-20-25-12-18(28(20)27-19)15-3-2-4-16(11-15)21(22,23)24;1-22-12-14-5-7-17(8-6-14)24-19-9-10-20-23-13-18(26(20)25-19)15-3-2-4-16(21)11-15;1-28(26,27)13-14-5-7-17(8-6-14)23-19-9-10-20-22-12-18(25(20)24-19)15-3-2-4-16(21)11-15;20-14-3-1-2-13(10-14)16-11-23-18-9-8-17(25-26(16)18)24-15-6-4-12(5-7-15)19(21)22;20-19(21,22)28-15-3-1-2-12(10-15)16-11-23-26-9-8-17(25-18(16)26)24-13-4-6-14(27)7-5-13;19-13-3-1-2-12(10-13)16-11-20-18-9-8-17(22-24(16)18)21-14-4-6-15(23-25)7-5-14/h2-4,9-12,14,16H,5-8,13H2,1H3,(H,26,27);2-4,9-12,14,17H,5-8,13H2,1H3,(H,26,27);2-4,9-11,13-14,17H,5-8,12H2,(H,24,25);2-4,9-12,14,17H,5-8,13H2,1H3,(H,23,24);1-3,8-12,15H,4-7H2,(H3,21,22)(H,24,25);1-3,8-11,13-14,27H,4-7H2,(H,24,25);1-3,8-11,14,25H,4-7H2,(H,21,22)/b;;;;;;23-15-.

What are the key properties of 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?

4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 2806.45 g/mol, XLogP of 29.43, 31 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 159736673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).