N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C43H34F6N12O6 — CID 123474979

About N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123474979) has the molecular formula C43H34F6N12O6 and a molecular weight of 928.81 g/mol. Its IUPAC name is N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 123474979
• Molecular Formula: C43H34F6N12O6
• Molecular Weight: 928.81 g/mol
• Exact Mass: 928.26
• IUPAC Name: N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: COCCOc1cc(NC(=O)c2cnc3cc(COCCOc4cc(NC(=O)c5cnc6c(C)cc(-c7ccccc7C(F)(F)F)nn56)ncn4)c(-c4ccccc4C(F)(F)F)nn23)ncn1
• InChI: InChI=1S/C43H34F6N12O6/c1-24-15-30(26-7-3-5-9-28(26)42(44,45)46)58-61-32(20-51-39(24)61)41(63)57-34-18-37(55-23-53-34)67-14-12-65-21-25-16-35-50-19-31(40(62)56-33-17-36(54-22-52-33)66-13-11-64-2)60(35)59-38(25)27-8-4-6-10-29(27)43(47,48)49/h3-10,15-20,22-23H,11-14,21H2,1-2H3,(H,52,54,56,62)(H,53,55,57,63)
• InChIKey: CCAGCNSCNHVPEP-UHFFFAOYSA-N
• XLogP: 7.16
• TPSA: 207.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	928.81
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 123474979) is N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is COCCOc1cc(NC(=O)c2cnc3cc(COCCOc4cc(NC(=O)c5cnc6c(C)cc(-c7ccccc7C(F)(F)F)nn56)ncn4)c(-c4ccccc4C(F)(F)F)nn23)ncn1.

What is the InChIKey of N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is CCAGCNSCNHVPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34F6N12O6/c1-24-15-30(26-7-3-5-9-28(26)42(44,45)46)58-61-32(20-51-39(24)61)41(63)57-34-18-37(55-23-53-34)67-14-12-65-21-25-16-35-50-19-31(40(62)56-33-17-36(54-22-52-33)66-13-11-64-2)60(35)59-38(25)27-8-4-6-10-29(27)43(47,48)49/h3-10,15-20,22-23H,11-14,21H2,1-2H3,(H,52,54,56,62)(H,53,55,57,63).

What are the key properties of N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?

N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 928.81 g/mol, XLogP of 7.16, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-[[3-[[6-(2-methoxyethoxy)pyrimidin-4-yl]carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]methoxy]ethoxy]pyrimidin-4-yl]-8-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123474979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).