[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one

C109H122F4N26O9 — CID 158233489

IUPAC[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccncn4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cnc[nH]4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cncnc4)CC3(C)C)nc12.CC(CO)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O
InChIInChI=1S/2C28H30FN7O2.C27H30FN7O2.C26H32FN5O3/c1-27(2,3)21-12-22(18-6-8-20(29)9-7-18)33-36-15-23(32-24(21)36)26(38)35-11-10-34(16-28(35,4)5)25(37)19-13-30-17-31-14-19;1-27(2,3)20-14-22(18-6-8-19(29)9-7-18)33-36-15-23(32-24(20)36)26(38)35-13-12-34(16-28(35,4)5)25(37)21-10-11-30-17-31-21;1-26(2,3)19-12-20(17-6-8-18(28)9-7-17)32-35-14-22(31-23(19)35)25(37)34-11-10-33(15-27(34,4)5)24(36)21-13-29-16-30-21;1-16(15-33)30-11-12-31(26(5,6)24(30)35)23(34)21-14-32-22(28-21)19(25(2,3)4)13-20(29-32)17-7-9-18(27)10-8-17/h6-9,12-15,17H,10-11,16H2,1-5H3;6-11,14-15,17H,12-13,16H2,1-5H3;6-9,12-14,16H,10-11,15H2,1-5H3,(H,29,30);7-10,13-14,16,33H,11-12,15H2,1-6H3
InChIKeyGERBWQQLPBOFPS-UHFFFAOYSA-N
MW2016.34 g/mol
LogP15.21
Rot. Bonds13

About [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one

[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 158233489) has the molecular formula C109H122F4N26O9 and a molecular weight of 2016.34 g/mol. Its IUPAC name is [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID158233489
Molecular FormulaC109H122F4N26O9
Molecular Weight2016.34 g/mol
Exact Mass2014.98
IUPAC Name[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccncn4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cnc[nH]4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cncnc4)CC3(C)C)nc12.CC(CO)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O
InChIInChI=1S/2C28H30FN7O2.C27H30FN7O2.C26H32FN5O3/c1-27(2,3)21-12-22(18-6-8-20(29)9-7-18)33-36-15-23(32-24(21)36)26(38)35-11-10-34(16-28(35,4)5)25(37)19-13-30-17-31-14-19;1-27(2,3)20-14-22(18-6-8-19(29)9-7-18)33-36-15-23(32-24(20)36)26(38)35-13-12-34(16-28(35,4)5)25(37)21-10-11-30-17-31-21;1-26(2,3)19-12-20(17-6-8-18(28)9-7-17)32-35-14-22(31-23(19)35)25(37)34-11-10-33(15-27(34,4)5)24(36)21-13-29-16-30-21;1-16(15-33)30-11-12-31(26(5,6)24(30)35)23(34)21-14-32-22(28-21)19(25(2,3)4)13-20(29-32)17-7-9-18(27)10-8-17/h6-9,12-15,17H,10-11,16H2,1-5H3;6-11,14-15,17H,12-13,16H2,1-5H3;6-9,12-14,16H,10-11,15H2,1-5H3,(H,29,30);7-10,13-14,16,33H,11-12,15H2,1-6H3
InChIKeyGERBWQQLPBOFPS-UHFFFAOYSA-N
XLogP15.21
TPSA383.71 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds13
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002016.34
LogP ≤ 515.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one (CID 158233489) is [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one is CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4ccncn4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cnc[nH]4)CC3(C)C)nc12.CC(C)(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)c4cncnc4)CC3(C)C)nc12.CC(CO)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1=O.
What is the InChIKey of [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is GERBWQQLPBOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H30FN7O2.C27H30FN7O2.C26H32FN5O3/c1-27(2,3)21-12-22(18-6-8-20(29)9-7-18)33-36-15-23(32-24(21)36)26(38)35-11-10-34(16-28(35,4)5)25(37)19-13-30-17-31-14-19;1-27(2,3)20-14-22(18-6-8-19(29)9-7-18)33-36-15-23(32-24(20)36)26(38)35-13-12-34(16-28(35,4)5)25(37)21-10-11-30-17-31-21;1-26(2,3)19-12-20(17-6-8-18(28)9-7-17)32-35-14-22(31-23(19)35)25(37)34-11-10-33(15-27(34,4)5)24(36)21-13-29-16-30-21;1-16(15-33)30-11-12-31(26(5,6)24(30)35)23(34)21-14-32-22(28-21)19(25(2,3)4)13-20(29-32)17-7-9-18(27)10-8-17/h6-9,12-15,17H,10-11,16H2,1-5H3;6-11,14-15,17H,12-13,16H2,1-5H3;6-9,12-14,16H,10-11,15H2,1-5H3,(H,29,30);7-10,13-14,16,33H,11-12,15H2,1-6H3.
What are the key properties of [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one?
[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 2016.34 g/mol, XLogP of 15.21, 13 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(1H-imidazol-5-yl)methanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-4-ylmethanone;[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-pyrimidin-5-ylmethanone;4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-1-(1-hydroxypropan-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 158233489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).