N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C27H24F5N5O — CID 144755697

About N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 144755697) has the molecular formula C27H24F5N5O and a molecular weight of 529.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• PubChem CID: 144755697
• Molecular Formula: C27H24F5N5O
• Molecular Weight: 529.51 g/mol
• Exact Mass: 529.19
• IUPAC Name: N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
• SMILES: Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cc4cccc(F)c4F)nn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C27H24F5N5O/c1-15-11-16(5-8-20(15)26(38)35-18-6-7-18)23-14-34-25-22(33-10-9-27(30,31)32)13-19(36-37(23)25)12-17-3-2-4-21(28)24(17)29/h2-5,8,11,13-14,18,33H,6-7,9-10,12H2,1H3,(H,35,38)
• InChIKey: PSBDKGOHHQEHES-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 71.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.51
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The IUPAC name of N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 144755697) is N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

What is the SMILES notation for N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The canonical SMILES for N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Cc4cccc(F)c4F)nn23)ccc1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

The InChIKey is PSBDKGOHHQEHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F5N5O/c1-15-11-16(5-8-20(15)26(38)35-18-6-7-18)23-14-34-25-22(33-10-9-27(30,31)32)13-19(36-37(23)25)12-17-3-2-4-21(28)24(17)29/h2-5,8,11,13-14,18,33H,6-7,9-10,12H2,1H3,(H,35,38).

What are the key properties of N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?

N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 529.51 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 144755697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).