N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C71H64F8N10O4 — CID 159090486

About N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 159090486) has the molecular formula C71H64F8N10O4 and a molecular weight of 1273.34 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• PubChem CID: 159090486
• Molecular Formula: C71H64F8N10O4
• Molecular Weight: 1273.34 g/mol
• Exact Mass: 1272.50
• IUPAC Name: N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• SMILES: C=C(c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1)c1cc(F)ccc1OCc1ccccc1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cc(F)ccc5OCc5ccccc5)CC4)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C36H33F4N5O2.C35H31F4N5O2/c1-22-17-24(7-11-27(22)34(46)43-26-9-10-26)30-20-42-33-29(41-16-15-36(38,39)40)19-32(44-45(30)33)35(13-14-35)28-18-25(37)8-12-31(28)47-21-23-5-3-2-4-6-23;1-21-16-24(8-12-27(21)34(45)42-26-10-11-26)31-19-41-33-30(40-15-14-35(37,38)39)18-29(43-44(31)33)22(2)28-17-25(36)9-13-32(28)46-20-23-6-4-3-5-7-23/h2-8,11-12,17-20,26,41H,9-10,13-16,21H2,1H3,(H,43,46);3-9,12-13,16-19,26,40H,2,10-11,14-15,20H2,1H3,(H,42,45)
• InChIKey: KBZQVJMDIOZBBT-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 161.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1273.34
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The IUPAC name of N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 159090486) is N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

What is the SMILES notation for N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The canonical SMILES for N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is C=C(c1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4CC4)c(C)c3)n2n1)c1cc(F)ccc1OCc1ccccc1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cc(F)ccc5OCc5ccccc5)CC4)nn23)ccc1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The InChIKey is KBZQVJMDIOZBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F4N5O2.C35H31F4N5O2/c1-22-17-24(7-11-27(22)34(46)43-26-9-10-26)30-20-42-33-29(41-16-15-36(38,39)40)19-32(44-45(30)33)35(13-14-35)28-18-25(37)8-12-31(28)47-21-23-5-3-2-4-6-23;1-21-16-24(8-12-27(21)34(45)42-26-10-11-26)31-19-41-33-30(40-15-14-35(37,38)39)18-29(43-44(31)33)22(2)28-17-25(36)9-13-32(28)46-20-23-6-4-3-5-7-23/h2-8,11-12,17-20,26,41H,9-10,13-16,21H2,1H3,(H,43,46);3-9,12-13,16-19,26,40H,2,10-11,14-15,20H2,1H3,(H,42,45).

What are the key properties of N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 1273.34 g/mol, XLogP of 15.50, 22 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)cyclopropyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide;N-cyclopropyl-4-[6-[1-(5-fluoro-2-phenylmethoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 159090486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).