4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C148H199N39O10 — CID 158345718

About 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 158345718) has the molecular formula C148H199N39O10 and a molecular weight of 2684.48 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 158345718
• Molecular Formula: C148H199N39O10
• Molecular Weight: 2684.48 g/mol
• Exact Mass: 2682.63
• IUPAC Name: 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: C.CC(C)(C)OC(=O)C[C@@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.CC1CCCCC1Nc1c(C(N)=O)cnn2cc(N)cc12.Cc1ccc2c(NC3CCCCC3C)c(C(N)=O)cnn12.Cc1ccc2c(N[C@H]3CCCC[C@H]3C)c(C(N)=O)cnn12.Cc1ccc2c(N[C@H]3CCCC[C@H]3C)c(C(N)=O)cnn12.NC(=O)c1cnn2cccc2c1N[C@@H]1CCCC[C@H]1N.[C-]#[N+]CC(=O)C[C@@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.[C-]#[N+]c1cnn2c(C)ccc2c1N[C@@H]1CCCC[C@@H]1C.[C-]#[N+]c1cnn2c(C)ccc2c1N[C@H]1CCCC[C@H]1C
• InChI: InChI=1S/C20H28N4O3.C18H21N5O2.3C16H22N4O.2C16H20N4.C15H21N5O.C14H19N5O.CH4/c1-20(2,3)27-17(25)11-13-7-4-5-8-15(13)23-18-14(19(21)26)12-22-24-10-6-9-16(18)24;1-20-10-13(24)9-12-5-2-3-6-15(12)22-17-14(18(19)25)11-21-23-8-4-7-16(17)23;3*1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;2*1-11-6-4-5-7-13(11)19-16-14(17-3)10-18-20-12(2)8-9-15(16)20;1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20;15-10-4-1-2-5-11(10)18-13-9(14(16)20)8-17-19-7-3-6-12(13)19;/h6,9-10,12-13,15,23H,4-5,7-8,11H2,1-3H3,(H2,21,26);4,7-8,11-12,15,22H,2-3,5-6,9-10H2,(H2,19,25);3*7-10,13,19H,3-6H2,1-2H3,(H2,17,21);2*8-11,13,19H,4-7H2,1-2H3;6-9,12,19H,2-5,16H2,1H3,(H2,17,21);3,6-8,10-11,18H,1-2,4-5,15H2,(H2,16,20);1H4/t13-,15+;12-,15+;2*10-,13+;;2*11-,13+;;10-,11-;/m0011.10.1./s1
• InChIKey: GRSCLJNMWDIZIM-AZOMLVLCSA-N
• XLogP: 25.74
• TPSA: 674.09 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2684.48
LogP ≤ 5	25.74
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 158345718) is 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is C.CC(C)(C)OC(=O)C[C@@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.CC1CCCCC1Nc1c(C(N)=O)cnn2cc(N)cc12.Cc1ccc2c(NC3CCCCC3C)c(C(N)=O)cnn12.Cc1ccc2c(N[C@H]3CCCC[C@H]3C)c(C(N)=O)cnn12.Cc1ccc2c(N[C@H]3CCCC[C@H]3C)c(C(N)=O)cnn12.NC(=O)c1cnn2cccc2c1N[C@@H]1CCCC[C@H]1N.[C-]#[N+]CC(=O)C[C@@H]1CCCC[C@H]1Nc1c(C(N)=O)cnn2cccc12.[C-]#[N+]c1cnn2c(C)ccc2c1N[C@@H]1CCCC[C@@H]1C.[C-]#[N+]c1cnn2c(C)ccc2c1N[C@H]1CCCC[C@H]1C.

What is the InChIKey of 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is GRSCLJNMWDIZIM-AZOMLVLCSA-N. The full InChI is InChI=1S/C20H28N4O3.C18H21N5O2.3C16H22N4O.2C16H20N4.C15H21N5O.C14H19N5O.CH4/c1-20(2,3)27-17(25)11-13-7-4-5-8-15(13)23-18-14(19(21)26)12-22-24-10-6-9-16(18)24;1-20-10-13(24)9-12-5-2-3-6-15(12)22-17-14(18(19)25)11-21-23-8-4-7-16(17)23;3*1-10-5-3-4-6-13(10)19-15-12(16(17)21)9-18-20-11(2)7-8-14(15)20;2*1-11-6-4-5-7-13(11)19-16-14(17-3)10-18-20-12(2)8-9-15(16)20;1-9-4-2-3-5-12(9)19-14-11(15(17)21)7-18-20-8-10(16)6-13(14)20;15-10-4-1-2-5-11(10)18-13-9(14(16)20)8-17-19-7-3-6-12(13)19;/h6,9-10,12-13,15,23H,4-5,7-8,11H2,1-3H3,(H2,21,26);4,7-8,11-12,15,22H,2-3,5-6,9-10H2,(H2,19,25);3*7-10,13,19H,3-6H2,1-2H3,(H2,17,21);2*8-11,13,19H,4-7H2,1-2H3;6-9,12,19H,2-5,16H2,1H3,(H2,17,21);3,6-8,10-11,18H,1-2,4-5,15H2,(H2,16,20);1H4/t13-,15+;12-,15+;2*10-,13+;;2*11-,13+;;10-,11-;/m0011.10.1./s1.

What are the key properties of 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 2684.48 g/mol, XLogP of 25.74, 30 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(1R,2R)-2-aminocyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-amino-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;tert-butyl 2-[(1S,2R)-2-[(3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexyl]acetate;3-isocyano-7-methyl-N-[(1S,2R)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-7-methyl-N-[(1R,2S)-2-methylcyclohexyl]pyrrolo[1,2-b]pyridazin-4-amine;4-[[(1R,2S)-2-(3-isocyano-2-oxopropyl)cyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;methane;bis(7-methyl-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide);7-methyl-4-[(2-methylcyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 158345718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).