tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C76H62ClF6N19O9 — CID 157471959

About tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 157471959) has the molecular formula C76H62ClF6N19O9 and a molecular weight of 1534.90 g/mol. Its IUPAC name is tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 157471959
• Molecular Formula: C76H62ClF6N19O9
• Molecular Weight: 1534.90 g/mol
• Exact Mass: 1533.46
• IUPAC Name: tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
• SMILES: CC(C)(C)OC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(C)(C)O)c4)c3)ccc2n1.Cc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1.O=C(Nc1cccc(Oc2ccc3nc(Nc4ccnc(Cl)n4)cn3n2)c1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H29N5O5.C25H18F3N7O2.C24H15ClF3N7O2/c1-26(2,3)37-25(34)30-21-16-32-22(29-21)12-13-23(31-32)36-20-11-7-10-19(15-20)28-24(33)17-8-6-9-18(14-17)27(4,5)35;1-15-29-11-10-20(30-15)32-21-14-35-22(33-21)8-9-23(34-35)37-19-7-3-6-18(13-19)31-24(36)16-4-2-5-17(12-16)25(26,27)28;25-23-29-10-9-18(33-23)31-19-13-35-20(32-19)7-8-21(34-35)37-17-6-2-5-16(12-17)30-22(36)14-3-1-4-15(11-14)24(26,27)28/h6-16,35H,1-5H3,(H,28,33)(H,30,34);2-14H,1H3,(H,31,36)(H,29,30,32);1-13H,(H,30,36)(H,29,31,33)
• InChIKey: BVDIRBVVGKCYRM-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 339.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1534.90
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 157471959) is tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is CC(C)(C)OC(=O)Nc1cn2nc(Oc3cccc(NC(=O)c4cccc(C(C)(C)O)c4)c3)ccc2n1.Cc1nccc(Nc2cn3nc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc3n2)n1.O=C(Nc1cccc(Oc2ccc3nc(Nc4ccnc(Cl)n4)cn3n2)c1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is BVDIRBVVGKCYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O5.C25H18F3N7O2.C24H15ClF3N7O2/c1-26(2,3)37-25(34)30-21-16-32-22(29-21)12-13-23(31-32)36-20-11-7-10-19(15-20)28-24(33)17-8-6-9-18(14-17)27(4,5)35;1-15-29-11-10-20(30-15)32-21-14-35-22(33-21)8-9-23(34-35)37-19-7-3-6-18(13-19)31-24(36)16-4-2-5-17(12-16)25(26,27)28;25-23-29-10-9-18(33-23)31-19-13-35-20(32-19)7-8-21(34-35)37-17-6-2-5-16(12-17)30-22(36)14-3-1-4-15(11-14)24(26,27)28/h6-16,35H,1-5H3,(H,28,33)(H,30,34);2-14H,1H3,(H,31,36)(H,29,30,32);1-13H,(H,30,36)(H,29,31,33).

What are the key properties of tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?

tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1534.90 g/mol, XLogP of 16.96, 18 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[6-[3-[[3-(2-hydroxypropan-2-yl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[3-[2-[(2-chloropyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2-methylpyrimidin-4-yl)amino]imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157471959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).