4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide

C29H25F7N4O3 — CID 66554778

About 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide

4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 66554778) has the molecular formula C29H25F7N4O3 and a molecular weight of 610.53 g/mol. Its IUPAC name is 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

• Compound Name: 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
• PubChem CID: 66554778
• Molecular Formula: C29H25F7N4O3
• Molecular Weight: 610.53 g/mol
• Exact Mass: 610.18
• IUPAC Name: 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
• SMILES: Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)ccc1C(=O)NC1(C)CC1
• InChI: InChI=1S/C29H25F7N4O3/c1-16-11-17(3-5-20(16)26(41)39-27(2)7-8-27)23-14-38-25-22(37-10-9-28(31,32)33)13-19(15-40(23)25)42-18-4-6-24(21(30)12-18)43-29(34,35)36/h3-6,11-15,37H,7-10H2,1-2H3,(H,39,41)
• InChIKey: JEFJEVDLNGKCQN-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 76.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.53
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?

The IUPAC name of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (CID 66554778) is 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.

What is the SMILES notation for 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?

The canonical SMILES for 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)c(F)c4)cn23)ccc1C(=O)NC1(C)CC1.

What is the InChIKey of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?

The InChIKey is JEFJEVDLNGKCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F7N4O3/c1-16-11-17(3-5-20(16)26(41)39-27(2)7-8-27)23-14-38-25-22(37-10-9-28(31,32)33)13-19(15-40(23)25)42-18-4-6-24(21(30)12-18)43-29(34,35)36/h3-6,11-15,37H,7-10H2,1-2H3,(H,39,41).

What are the key properties of 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?

4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 610.53 g/mol, XLogP of 7.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[3-fluoro-4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 66554778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).