N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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

C65H60F8N10O4 — CID 162141996

About N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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-hydroxyphenyl)cyclopropyl]-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 (PubChem CID 162141996) has the molecular formula C65H60F8N10O4 and a molecular weight of 1197.24 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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
• PubChem CID: 162141996
• Molecular Formula: C65H60F8N10O4
• Molecular Weight: 1197.24 g/mol
• Exact Mass: 1196.47
• IUPAC Name: N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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
• SMILES: Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cc(F)ccc5O)CC4)nn23)ccc1C(=O)NC1CC1.Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cc(F)ccc5OCc5ccccc5)CC4)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C36H33F4N5O2.C29H27F4N5O2/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;1-16-12-17(2-6-20(16)27(40)36-19-4-5-19)23-15-35-26-22(34-11-10-29(31,32)33)14-25(37-38(23)26)28(8-9-28)21-13-18(30)3-7-24(21)39/h2-8,11-12,17-20,26,41H,9-10,13-16,21H2,1H3,(H,43,46);2-3,6-7,12-15,19,34,39H,4-5,8-11H2,1H3,(H,36,40)
• InChIKey: ZKAWIKDPGQHYKO-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 172.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.24
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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?

The IUPAC name of N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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 (CID 162141996) is N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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.

What is the SMILES notation for N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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?

The canonical SMILES for N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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 is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(C4(c5cc(F)ccc5O)CC4)nn23)ccc1C(=O)NC1CC1.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-hydroxyphenyl)cyclopropyl]-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?

The InChIKey is ZKAWIKDPGQHYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F4N5O2.C29H27F4N5O2/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;1-16-12-17(2-6-20(16)27(40)36-19-4-5-19)23-15-35-26-22(34-11-10-29(31,32)33)14-25(37-38(23)26)28(8-9-28)21-13-18(30)3-7-24(21)39/h2-8,11-12,17-20,26,41H,9-10,13-16,21H2,1H3,(H,43,46);2-3,6-7,12-15,19,34,39H,4-5,8-11H2,1H3,(H,36,40).

What are the key properties of N-cyclopropyl-4-[6-[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]-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-hydroxyphenyl)cyclopropyl]-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 has a molecular weight of 1197.24 g/mol, XLogP of 13.65, 19 rotatable bonds, 5 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-hydroxyphenyl)cyclopropyl]-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 is sourced from PubChem (CID 162141996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).