4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one

C105H136F8N24O8 — CID 158601338

IUPAC4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C4=CCC=N4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C4=CCN=C4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1
InChIInChI=1S/C28H37F2N7O2.2C27H34F2N6O2.C23H31F2N5O2/c1-17-13-21(33-32-17)24(38)35-11-12-36(27(5,6)16-35)25(39)22-15-37-23(31-22)19(26(2,3)4)14-20(34-37)18-7-9-28(29,30)10-8-18;1-25(2,3)19-14-20(17-6-9-27(28,29)10-7-17)32-35-16-21(31-22(19)35)23(36)34-13-12-33(18-8-11-30-15-18)24(37)26(34,4)5;1-25(2,3)18-15-19(17-8-10-27(28,29)11-9-17)32-35-16-20(31-22(18)35)23(36)34-14-13-33(21-7-6-12-30-21)24(37)26(34,4)5;1-21(2,3)15-12-16(14-6-8-23(24,25)9-7-14)28-30-13-17(27-18(15)30)19(31)29-11-10-26-20(32)22(29,4)5/h13-15,18H,7-12,16H2,1-6H3,(H,32,33);8,14-17H,6-7,9-13H2,1-5H3;7,12,15-17H,6,8-11,13-14H2,1-5H3;12-14H,6-11H2,1-5H3,(H,26,32)
InChIKeyHVRCZDAHXLSEQJ-UHFFFAOYSA-N
MW2014.39 g/mol
LogP17.45
Rot. Bonds11

About 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one

4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one (PubChem CID 158601338) has the molecular formula C105H136F8N24O8 and a molecular weight of 2014.39 g/mol. Its IUPAC name is 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
PubChem CID158601338
Molecular FormulaC105H136F8N24O8
Molecular Weight2014.39 g/mol
Exact Mass2013.08
IUPAC Name4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one
SMILESCC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C4=CCC=N4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C4=CCN=C4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1
InChIInChI=1S/C28H37F2N7O2.2C27H34F2N6O2.C23H31F2N5O2/c1-17-13-21(33-32-17)24(38)35-11-12-36(27(5,6)16-35)25(39)22-15-37-23(31-22)19(26(2,3)4)14-20(34-37)18-7-9-28(29,30)10-8-18;1-25(2,3)19-14-20(17-6-9-27(28,29)10-7-17)32-35-16-21(31-22(19)35)23(36)34-13-12-33(18-8-11-30-15-18)24(37)26(34,4)5;1-25(2,3)18-15-19(17-8-10-27(28,29)11-9-17)32-35-16-20(31-22(18)35)23(36)34-14-13-33(21-7-6-12-30-21)24(37)26(34,4)5;1-21(2,3)15-12-16(14-6-8-23(24,25)9-7-14)28-30-13-17(27-18(15)30)19(31)29-11-10-26-20(32)22(29,4)5/h13-15,18H,7-12,16H2,1-6H3,(H,32,33);8,14-17H,6-7,9-13H2,1-5H3;7,12,15-17H,6,8-11,13-14H2,1-5H3;12-14H,6-11H2,1-5H3,(H,26,32)
InChIKeyHVRCZDAHXLSEQJ-UHFFFAOYSA-N
XLogP17.45
TPSA345.43 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002014.39
LogP ≤ 517.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one?
The IUPAC name of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one (CID 158601338) is 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one.
What is the SMILES notation for 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one?
The canonical SMILES for 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one is CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C4=CCC=N4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCN(C4=CCN=C4)C(=O)C3(C)C)nc12.CC(C)(C)c1cc(C2CCC(F)(F)CC2)nn2cc(C(=O)N3CCNC(=O)C3(C)C)nc12.Cc1cc(C(=O)N2CCN(C(=O)c3cn4nc(C5CCC(F)(F)CC5)cc(C(C)(C)C)c4n3)C(C)(C)C2)n[nH]1.
What is the InChIKey of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one?
The InChIKey is HVRCZDAHXLSEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N7O2.2C27H34F2N6O2.C23H31F2N5O2/c1-17-13-21(33-32-17)24(38)35-11-12-36(27(5,6)16-35)25(39)22-15-37-23(31-22)19(26(2,3)4)14-20(34-37)18-7-9-28(29,30)10-8-18;1-25(2,3)19-14-20(17-6-9-27(28,29)10-7-17)32-35-16-21(31-22(19)35)23(36)34-13-12-33(18-8-11-30-15-18)24(37)26(34,4)5;1-25(2,3)18-15-19(17-8-10-27(28,29)11-9-17)32-35-16-20(31-22(18)35)23(36)34-14-13-33(21-7-6-12-30-21)24(37)26(34,4)5;1-21(2,3)15-12-16(14-6-8-23(24,25)9-7-14)28-30-13-17(27-18(15)30)19(31)29-11-10-26-20(32)22(29,4)5/h13-15,18H,7-12,16H2,1-6H3,(H,32,33);8,14-17H,6-7,9-13H2,1-5H3;7,12,15-17H,6,8-11,13-14H2,1-5H3;12-14H,6-11H2,1-5H3,(H,26,32).
What are the key properties of 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one?
4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one has a molecular weight of 2014.39 g/mol, XLogP of 17.45, 11 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(2H-pyrrol-4-yl)piperazin-2-one;4-[8-tert-butyl-6-(4,4-difluorocyclohexyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethyl-1-(3H-pyrrol-5-yl)piperazin-2-one is sourced from PubChem (CID 158601338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).