(3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride

C37H33Br2ClF6N8O6 — CID 158681740

About (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride

(3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride (PubChem CID 158681740) has the molecular formula C37H33Br2ClF6N8O6 and a molecular weight of 994.97 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride
• PubChem CID: 158681740
• Molecular Formula: C37H33Br2ClF6N8O6
• Molecular Weight: 994.97 g/mol
• Exact Mass: 992.05
• IUPAC Name: (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.Cl.NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1
• InChI: InChI=1S/C21H20BrF3N4O4.C16H12BrF3N4O2.ClH/c1-20(2,3)33-19(31)26-13-7-29(8-13)18(30)15-9-28-6-11(12-5-16(22)32-10-12)4-14(17(28)27-15)21(23,24)25;17-13-2-9(7-26-13)8-1-11(16(18,19)20)14-22-12(6-23(14)3-8)15(25)24-4-10(21)5-24;/h4-6,9-10,13H,7-8H2,1-3H3,(H,26,31);1-3,6-7,10H,4-5,21H2;1H
• InChIKey: WTMKPZXQCXZCJE-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 165.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	994.97
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride?

The IUPAC name of (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride (CID 158681740) is (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride.

What is the SMILES notation for (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride?

The canonical SMILES for (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.Cl.NC1CN(C(=O)c2cn3cc(-c4coc(Br)c4)cc(C(F)(F)F)c3n2)C1.

What is the InChIKey of (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride?

The InChIKey is WTMKPZXQCXZCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrF3N4O4.C16H12BrF3N4O2.ClH/c1-20(2,3)33-19(31)26-13-7-29(8-13)18(30)15-9-28-6-11(12-5-16(22)32-10-12)4-14(17(28)27-15)21(23,24)25;17-13-2-9(7-26-13)8-1-11(16(18,19)20)14-22-12(6-23(14)3-8)15(25)24-4-10(21)5-24;/h4-6,9-10,13H,7-8H2,1-3H3,(H,26,31);1-3,6-7,10H,4-5,21H2;1H.

What are the key properties of (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride?

(3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride has a molecular weight of 994.97 g/mol, XLogP of 8.31, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3-aminoazetidin-1-yl)-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;tert-butyl N-[1-[6-(5-bromofuran-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]azetidin-3-yl]carbamate;hydrochloride is sourced from PubChem (CID 158681740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).