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

C29H26F6N4O3 — CID 89036342

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

2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 89036342) has the molecular formula C29H26F6N4O3 and a molecular weight of 592.54 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
• PubChem CID: 89036342
• Molecular Formula: C29H26F6N4O3
• Molecular Weight: 592.54 g/mol
• Exact Mass: 592.19
• IUPAC Name: 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
• SMILES: Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)cc4)cn23)ccc1C(=O)NC1(C)CC1
• InChI: InChI=1S/C29H26F6N4O3/c1-17-13-18(3-8-22(17)26(40)38-27(2)9-10-27)24-15-37-25-23(36-12-11-28(30,31)32)14-21(16-39(24)25)41-19-4-6-20(7-5-19)42-29(33,34)35/h3-8,13-16,36H,9-12H2,1-2H3,(H,38,40)
• InChIKey: DPJBOYPMMIPJQU-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 76.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.54
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 89036342) is 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

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

The canonical SMILES for 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC(F)(F)F)cc4)cn23)ccc1C(=O)NC1(C)CC1.

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

The InChIKey is DPJBOYPMMIPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N4O3/c1-17-13-18(3-8-22(17)26(40)38-27(2)9-10-27)24-15-37-25-23(36-12-11-28(30,31)32)14-21(16-39(24)25)41-19-4-6-20(7-5-19)42-29(33,34)35/h3-8,13-16,36H,9-12H2,1-2H3,(H,38,40).

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

2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 592.54 g/mol, XLogP of 7.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-(1-methylcyclopropyl)-4-[6-[4-(trifluoromethoxy)phenoxy]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 89036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).