1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine

C92H99ClN28O14 — CID 161229383

About 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine

1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine (PubChem CID 161229383) has the molecular formula C92H99ClN28O14 and a molecular weight of 1856.44 g/mol. Its IUPAC name is 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine
• PubChem CID: 161229383
• Molecular Formula: C92H99ClN28O14
• Molecular Weight: 1856.44 g/mol
• Exact Mass: 1854.76
• IUPAC Name: 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine
• SMILES: CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cccnc3OC)nn12.CNc1cc(Nc2cccnc2OC)nn2c(C(=O)NC3(C#N)CC3)cnc12.COc1ccc(CN(C)c2cc(Nc3cccnc3OC)nn3c(C(=O)O)cnc23)cc1.COc1ncccc1N.N#CC1(N)CC1
• InChI: InChI=1S/C24H26N6O4.C22H22N6O4.C18H19ClN4O3.C18H18N8O2.C6H8N2O.C4H6N2/c1-5-34-24(31)20-14-26-22-19(29(2)15-16-8-10-17(32-3)11-9-16)13-21(28-30(20)22)27-18-7-6-12-25-23(18)33-4;1-27(13-14-6-8-15(31-2)9-7-14)17-11-19(25-16-5-4-10-23-21(16)32-3)26-28-18(22(29)30)12-24-20(17)28;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20-12-8-14(23-11-4-3-7-21-17(11)28-2)25-26-13(9-22-15(12)26)16(27)24-18(10-19)5-6-18;1-9-6-5(7)3-2-4-8-6;5-3-4(6)1-2-4/h6-14H,5,15H2,1-4H3,(H,27,28);4-12H,13H2,1-3H3,(H,25,26)(H,29,30);5-10H,4,11H2,1-3H3;3-4,7-9,20H,5-6H2,1-2H3,(H,23,25)(H,24,27);2-4H,7H2,1H3;1-2,6H2
• InChIKey: UYNYRQCJQAZIBN-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 513.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1856.44
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine?

The IUPAC name of 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine (CID 161229383) is 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine.

What is the SMILES notation for 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine?

The canonical SMILES for 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine is CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Nc3cccnc3OC)nn12.CNc1cc(Nc2cccnc2OC)nn2c(C(=O)NC3(C#N)CC3)cnc12.COc1ccc(CN(C)c2cc(Nc3cccnc3OC)nn3c(C(=O)O)cnc23)cc1.COc1ncccc1N.N#CC1(N)CC1.

What is the InChIKey of 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine?

The InChIKey is UYNYRQCJQAZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4.C22H22N6O4.C18H19ClN4O3.C18H18N8O2.C6H8N2O.C4H6N2/c1-5-34-24(31)20-14-26-22-19(29(2)15-16-8-10-17(32-3)11-9-16)13-21(28-30(20)22)27-18-7-6-12-25-23(18)33-4;1-27(13-14-6-8-15(31-2)9-7-14)17-11-19(25-16-5-4-10-23-21(16)32-3)26-28-18(22(29)30)12-24-20(17)28;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20-12-8-14(23-11-4-3-7-21-17(11)28-2)25-26-13(9-22-15(12)26)16(27)24-18(10-19)5-6-18;1-9-6-5(7)3-2-4-8-6;5-3-4(6)1-2-4/h6-14H,5,15H2,1-4H3,(H,27,28);4-12H,13H2,1-3H3,(H,25,26)(H,29,30);5-10H,4,11H2,1-3H3;3-4,7-9,20H,5-6H2,1-2H3,(H,23,25)(H,24,27);2-4H,7H2,1H3;1-2,6H2.

What are the key properties of 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine?

1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine has a molecular weight of 1856.44 g/mol, XLogP of 12.50, 30 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-aminocyclopropane-1-carbonitrile;N-(1-cyanocyclopropyl)-6-[(2-methoxy-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylate;8-[(4-methoxyphenyl)methyl-methylamino]-6-[(2-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazine-3-carboxylic acid;2-methoxypyridin-3-amine is sourced from PubChem (CID 161229383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).