6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide

C44H34F6N12O4S — CID 123922375

About 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide

6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 123922375) has the molecular formula C44H34F6N12O4S and a molecular weight of 940.89 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

• Compound Name: 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
• PubChem CID: 123922375
• Molecular Formula: C44H34F6N12O4S
• Molecular Weight: 940.89 g/mol
• Exact Mass: 940.25
• IUPAC Name: 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide
• SMILES: O=C(Nc1ccncc1)c1cc(N2CCOCC2c2csc(NC(=O)c3cc(N4CCOCC4)nn4cc(-c5cccc(C(F)(F)F)c5)nc34)n2)nn2cc(-c3ccccc3C(F)(F)F)nc12
• InChI: InChI=1S/C44H34F6N12O4S/c45-43(46,47)26-5-3-4-25(18-26)32-21-61-38(53-32)29(19-36(57-61)59-12-15-65-16-13-59)41(64)56-42-55-34(24-67-42)35-23-66-17-14-60(35)37-20-30(40(63)52-27-8-10-51-11-9-27)39-54-33(22-62(39)58-37)28-6-1-2-7-31(28)44(48,49)50/h1-11,18-22,24,35H,12-17,23H2,(H,51,52,63)(H,55,56,64)
• InChIKey: LAQUDOLFKUXYAM-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 169.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.89
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?

The IUPAC name of 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide (CID 123922375) is 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide.

What is the SMILES notation for 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?

The canonical SMILES for 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide is O=C(Nc1ccncc1)c1cc(N2CCOCC2c2csc(NC(=O)c3cc(N4CCOCC4)nn4cc(-c5cccc(C(F)(F)F)c5)nc34)n2)nn2cc(-c3ccccc3C(F)(F)F)nc12.

What is the InChIKey of 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?

The InChIKey is LAQUDOLFKUXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34F6N12O4S/c45-43(46,47)26-5-3-4-25(18-26)32-21-61-38(53-32)29(19-36(57-61)59-12-15-65-16-13-59)41(64)56-42-55-34(24-67-42)35-23-66-17-14-60(35)37-20-30(40(63)52-27-8-10-51-11-9-27)39-54-33(22-62(39)58-37)28-6-1-2-7-31(28)44(48,49)50/h1-11,18-22,24,35H,12-17,23H2,(H,51,52,63)(H,55,56,64).

What are the key properties of 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide?

6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 940.89 g/mol, XLogP of 7.91, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-morpholin-4-yl-N-[4-[4-[8-(pyridin-4-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]morpholin-3-yl]-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 123922375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).