2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride

C24H24ClF5N6O3 — CID 171636756

About 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride

2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride (PubChem CID 171636756) has the molecular formula C24H24ClF5N6O3 and a molecular weight of 574.94 g/mol. Its IUPAC name is 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
• PubChem CID: 171636756
• Molecular Formula: C24H24ClF5N6O3
• Molecular Weight: 574.94 g/mol
• Exact Mass: 574.15
• IUPAC Name: 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
• SMILES: Cc1c(C(=O)N2CC(c3nn(CC(=O)N4CCO[C@H](C(F)(F)F)C4)c4cc(F)cc(F)c34)C2)ccnc1N.Cl
• InChI: InChI=1S/C24H23F5N6O3.ClH/c1-12-15(2-3-31-22(12)30)23(37)34-8-13(9-34)21-20-16(26)6-14(25)7-17(20)35(32-21)11-19(36)33-4-5-38-18(10-33)24(27,28)29;/h2-3,6-7,13,18H,4-5,8-11H2,1H3,(H2,30,31);1H/t18-;/m0./s1
• InChIKey: YLYRGOBYSDXQAU-FERBBOLQSA-N
• XLogP: 3.05
• TPSA: 106.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.94
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?

The IUPAC name of 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride (CID 171636756) is 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride.

What is the SMILES notation for 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?

The canonical SMILES for 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride is Cc1c(C(=O)N2CC(c3nn(CC(=O)N4CCO[C@H](C(F)(F)F)C4)c4cc(F)cc(F)c34)C2)ccnc1N.Cl.

What is the InChIKey of 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?

The InChIKey is YLYRGOBYSDXQAU-FERBBOLQSA-N. The full InChI is InChI=1S/C24H23F5N6O3.ClH/c1-12-15(2-3-31-22(12)30)23(37)34-8-13(9-34)21-20-16(26)6-14(25)7-17(20)35(32-21)11-19(36)33-4-5-38-18(10-33)24(27,28)29;/h2-3,6-7,13,18H,4-5,8-11H2,1H3,(H2,30,31);1H/t18-;/m0./s1.

What are the key properties of 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?

2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride has a molecular weight of 574.94 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 171636756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).