N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide

C50H54F2N16OS2 — CID 161092840

About N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide

N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide (PubChem CID 161092840) has the molecular formula C50H54F2N16OS2 and a molecular weight of 997.22 g/mol. Its IUPAC name is N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide
• PubChem CID: 161092840
• Molecular Formula: C50H54F2N16OS2
• Molecular Weight: 997.22 g/mol
• Exact Mass: 996.41
• IUPAC Name: N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide
• SMILES: CCc1nc2ccc(N3CCC(N)CC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCC(NC(=O)n4ccnc4)CC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H28FN9OS.C23H26FN7S/c1-3-21-25(34(2)27-32-22(16-39-27)18-4-6-19(28)7-5-18)37-23(31-21)8-9-24(33-37)35-13-10-20(11-14-35)30-26(38)36-15-12-29-17-36;1-3-18-22(29(2)23-27-19(14-32-23)15-4-6-16(24)7-5-15)31-20(26-18)8-9-21(28-31)30-12-10-17(25)11-13-30/h4-9,12,15-17,20H,3,10-11,13-14H2,1-2H3,(H,30,38);4-9,14,17H,3,10-13,25H2,1-2H3
• InChIKey: UHKFUJHUPOLTCI-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 172.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	997.22
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide?

The IUPAC name of N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide (CID 161092840) is N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide.

What is the SMILES notation for N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide?

The canonical SMILES for N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide is CCc1nc2ccc(N3CCC(N)CC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(N3CCC(NC(=O)n4ccnc4)CC3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide?

The InChIKey is UHKFUJHUPOLTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN9OS.C23H26FN7S/c1-3-21-25(34(2)27-32-22(16-39-27)18-4-6-19(28)7-5-18)37-23(31-21)8-9-24(33-37)35-13-10-20(11-14-35)30-26(38)36-15-12-29-17-36;1-3-18-22(29(2)23-27-19(14-32-23)15-4-6-16(24)7-5-15)31-20(26-18)8-9-21(28-31)30-12-10-17(25)11-13-30/h4-9,12,15-17,20H,3,10-11,13-14H2,1-2H3,(H,30,38);4-9,14,17H,3,10-13,25H2,1-2H3.

What are the key properties of N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide?

N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide has a molecular weight of 997.22 g/mol, XLogP of 9.00, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide is sourced from PubChem (CID 161092840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).