N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide

C63H74FN11O6 — CID 123930675

About N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide

N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 123930675) has the molecular formula C63H74FN11O6 and a molecular weight of 1100.35 g/mol. Its IUPAC name is N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
• PubChem CID: 123930675
• Molecular Formula: C63H74FN11O6
• Molecular Weight: 1100.35 g/mol
• Exact Mass: 1099.58
• IUPAC Name: N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
• SMILES: CCc1nccccc(C(=O)N(C)CCOc2ccc(-c3cnn4cc(C(=O)N(C)CCOc5cc(-c6cc7[nH]nc(C(=O)N(C)CCOc8ccccc8C(C)(C)C)c7cc6F)ccc5C(C)(C)C)nc4c3)cc2C(C)(C)C)[nH]n1
• InChI: InChI=1S/C63H74FN11O6/c1-14-55-65-26-18-17-20-49(68-70-55)58(76)72(11)27-30-80-53-25-23-40(33-47(53)63(8,9)10)42-35-56-67-51(39-75(56)66-38-42)59(77)73(12)28-32-81-54-34-41(22-24-46(54)62(5,6)7)43-37-50-44(36-48(43)64)57(71-69-50)60(78)74(13)29-31-79-52-21-16-15-19-45(52)61(2,3)4/h15-26,33-39,68H,14,27-32H2,1-13H3,(H,69,71)/b18-17-,49-20-,65-26-,70-55-
• InChIKey: SKAUOQSYMOIHHC-WQUMGPNZSA-N
• XLogP: 11.23
• TPSA: 189.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1100.35
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?

The IUPAC name of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide (CID 123930675) is N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide.

What is the SMILES notation for N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?

The canonical SMILES for N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide is CCc1nccccc(C(=O)N(C)CCOc2ccc(-c3cnn4cc(C(=O)N(C)CCOc5cc(-c6cc7[nH]nc(C(=O)N(C)CCOc8ccccc8C(C)(C)C)c7cc6F)ccc5C(C)(C)C)nc4c3)cc2C(C)(C)C)[nH]n1.

What is the InChIKey of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?

The InChIKey is SKAUOQSYMOIHHC-WQUMGPNZSA-N. The full InChI is InChI=1S/C63H74FN11O6/c1-14-55-65-26-18-17-20-49(68-70-55)58(76)72(11)27-30-80-53-25-23-40(33-47(53)63(8,9)10)42-35-56-67-51(39-75(56)66-38-42)59(77)73(12)28-32-81-54-34-41(22-24-46(54)62(5,6)7)43-37-50-44(36-48(43)64)57(71-69-50)60(78)74(13)29-31-79-52-21-16-15-19-45(52)61(2,3)4/h15-26,33-39,68H,14,27-32H2,1-13H3,(H,69,71)/b18-17-,49-20-,65-26-,70-55-.

What are the key properties of N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide?

N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 1100.35 g/mol, XLogP of 11.23, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-tert-butyl-5-[3-[2-(2-tert-butylphenoxy)ethyl-methylcarbamoyl]-5-fluoro-1H-indazol-6-yl]phenoxy]ethyl]-7-[3-tert-butyl-4-[2-[(3-ethyl-1H-1,2,4-triazonine-9-carbonyl)-methylamino]ethoxy]phenyl]-N-methylimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 123930675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).