[8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C83H93ClF5N17O7 — CID 158726957

About [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 158726957) has the molecular formula C83H93ClF5N17O7 and a molecular weight of 1571.21 g/mol. Its IUPAC name is [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

• Compound Name: [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• PubChem CID: 158726957
• Molecular Formula: C83H93ClF5N17O7
• Molecular Weight: 1571.21 g/mol
• Exact Mass: 1569.71
• IUPAC Name: [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
• SMILES: CC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)c4ncccn4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNC(=O)C34CCCC4)nc12.CC1(O)CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)C1
• InChI: InChI=1S/C30H36F3N5O3.C28H29ClFN7O2.C25H28FN5O2/c1-27(2,3)21-13-22(18-7-9-20(10-8-18)30(31,32)33)35-38-16-23(34-24(21)38)26(40)37-12-11-36(17-28(37,4)5)25(39)19-14-29(6,41)15-19;1-27(2,3)18-14-21(17-7-8-20(30)19(29)13-17)34-37-15-22(33-24(18)37)25(38)36-12-11-35(16-28(36,4)5)26(39)23-31-9-6-10-32-23;1-24(2,3)18-14-19(16-6-8-17(26)9-7-16)29-31-15-20(28-21(18)31)22(32)30-13-12-27-23(33)25(30)10-4-5-11-25/h7-10,13,16,19,41H,11-12,14-15,17H2,1-6H3;6-10,13-15H,11-12,16H2,1-5H3;6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,33)
• InChIKey: IKPWHKAVQMLOQB-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 267.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1571.21
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The IUPAC name of [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 158726957) is [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

What is the SMILES notation for [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The canonical SMILES for [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC(C)(C)c1cc(-c2ccc(F)c(Cl)c2)nn2cc(C(=O)N3CCN(C(=O)c4ncccn4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCNC(=O)C34CCCC4)nc12.CC1(O)CC(C(=O)N2CCN(C(=O)c3cn4nc(-c5ccc(C(F)(F)F)cc5)cc(C(C)(C)C)c4n3)C(C)(C)C2)C1.

What is the InChIKey of [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

The InChIKey is IKPWHKAVQMLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N5O3.C28H29ClFN7O2.C25H28FN5O2/c1-27(2,3)21-13-22(18-7-9-20(10-8-18)30(31,32)33)35-38-16-23(34-24(21)38)26(40)37-12-11-36(17-28(37,4)5)25(39)19-14-29(6,41)15-19;1-27(2,3)18-14-21(17-7-8-20(30)19(29)13-17)34-37-15-22(33-24(18)37)25(38)36-12-11-35(16-28(36,4)5)26(39)23-31-9-6-10-32-23;1-24(2,3)18-14-19(16-6-8-17(26)9-7-16)29-31-15-20(28-21(18)31)22(32)30-13-12-27-23(33)25(30)10-4-5-11-25/h7-10,13,16,19,41H,11-12,14-15,17H2,1-6H3;6-10,13-15H,11-12,16H2,1-5H3;6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,33).

What are the key properties of [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?

[8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 1571.21 g/mol, XLogP of 13.31, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [8-tert-butyl-6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-[2,2-dimethyl-4-(pyrimidine-2-carbonyl)piperazin-1-yl]methanone;6-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-6,9-diazaspiro[4.5]decan-10-one;[4-[8-tert-butyl-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 158726957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).