6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride

C91H90BCl6F2N29O11 — CID 159816437

About 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride

6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride (PubChem CID 159816437) has the molecular formula C91H90BCl6F2N29O11 and a molecular weight of 2027.44 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride
• PubChem CID: 159816437
• Molecular Formula: C91H90BCl6F2N29O11
• Molecular Weight: 2027.44 g/mol
• Exact Mass: 2023.56
• IUPAC Name: 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride
• SMILES: CCOC(=O)c1ccn(Cc2nc3ccc(Cl)cn3n2)c1.CCOC(=O)c1cn(Cc2nc3ccc(C4CC4)cn3n2)cn1.CCOC(=O)c1cnc[nH]1.Cl.ClCc1cn2nc(Cl)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.O=C(O)c1cn(Cc2nc3ccc(C4CC4)cn3n2)cn1.OB(O)C1CC1
• InChI: InChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13ClN4O2.C14H13N5O2.C8H7ClFN3.C7H5Cl2N3.C6H8N2O2.C3H7BO2.ClH/c24-16-7-8-31-13-27-18(23(31)22(16)25)3-5-20(33)19-11-30(12-26-19)9-15-10-32-21(28-15)6-4-17(29-32)14-1-2-14;1-2-23-16(22)13-8-20(10-17-13)9-14-18-15-6-5-12(11-3-4-11)7-21(15)19-14;1-2-21-14(20)10-5-6-18(7-10)9-12-16-13-4-3-11(15)8-19(13)17-12;20-14(21)11-6-18(8-15-11)7-12-16-13-4-3-10(9-1-2-9)5-19(13)17-12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;8-3-5-4-12-7(10-5)2-1-6(9)11-12;1-2-10-6(9)5-3-7-4-8-5;5-4(6)3-1-2-3;/h4,6-8,10-14H,1-3,5,9H2;5-8,10-11H,2-4,9H2,1H3;3-8H,2,9H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1-2,4H,3H2;3-4H,2H2,1H3,(H,7,8);3,5-6H,1-2H2;1H
• InChIKey: IZVHNOMGUQCUIR-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 472.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2027.44
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

The IUPAC name of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride (CID 159816437) is 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride.

What is the SMILES notation for 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

The canonical SMILES for 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride is CCOC(=O)c1ccn(Cc2nc3ccc(Cl)cn3n2)c1.CCOC(=O)c1cn(Cc2nc3ccc(C4CC4)cn3n2)cn1.CCOC(=O)c1cnc[nH]1.Cl.ClCc1cn2nc(Cl)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3nc(C4CC4)ccc3n2)cn1.O=C(O)c1cn(Cc2nc3ccc(C4CC4)cn3n2)cn1.OB(O)C1CC1.

What is the InChIKey of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

The InChIKey is IZVHNOMGUQCUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O.C16H17N5O2.C14H13ClN4O2.C14H13N5O2.C8H7ClFN3.C7H5Cl2N3.C6H8N2O2.C3H7BO2.ClH/c24-16-7-8-31-13-27-18(23(31)22(16)25)3-5-20(33)19-11-30(12-26-19)9-15-10-32-21(28-15)6-4-17(29-32)14-1-2-14;1-2-23-16(22)13-8-20(10-17-13)9-14-18-15-6-5-12(11-3-4-11)7-21(15)19-14;1-2-21-14(20)10-5-6-18(7-10)9-12-16-13-4-3-11(15)8-19(13)17-12;20-14(21)11-6-18(8-15-11)7-12-16-13-4-3-10(9-1-2-9)5-19(13)17-12;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;8-3-5-4-12-7(10-5)2-1-6(9)11-12;1-2-10-6(9)5-3-7-4-8-5;5-4(6)3-1-2-3;/h4,6-8,10-14H,1-3,5,9H2;5-8,10-11H,2-4,9H2,1H3;3-8H,2,9H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2;1-2,4H,3H2;3-4H,2H2,1H3,(H,7,8);3,5-6H,1-2H2;1H.

What are the key properties of 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride?

6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride has a molecular weight of 2027.44 g/mol, XLogP of 14.43, 25 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]imidazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;cyclopropylboronic acid;1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylic acid;ethyl 1-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;ethyl 1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]imidazole-4-carboxylate;ethyl 1H-imidazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 159816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).