(2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

C24H29ClF3N3O2 — CID 118293771

About (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride

(2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (PubChem CID 118293771) has the molecular formula C24H29ClF3N3O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

Molecular Properties

• Compound Name: (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
• PubChem CID: 118293771
• Molecular Formula: C24H29ClF3N3O2
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.19
• IUPAC Name: (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride
• SMILES: CN1CC[C@@]2(CC[C@H](c3cc(-c4ccc(C(F)(F)F)cc4)c(OC(C)(C)C)cn3)N2)C1=O.Cl
• InChI: InChI=1S/C24H28F3N3O2.ClH/c1-22(2,3)32-20-14-28-19(18-9-10-23(29-18)11-12-30(4)21(23)31)13-17(20)15-5-7-16(8-6-15)24(25,26)27;/h5-8,13-14,18,29H,9-12H2,1-4H3;1H/t18-,23+;/m1./s1
• InChIKey: CVYJIOOYRVYMKH-IMIWJGOWSA-N
• XLogP: 5.39
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?

The IUPAC name of (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride (CID 118293771) is (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride.

What is the SMILES notation for (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?

The canonical SMILES for (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is CN1CC[C@@]2(CC[C@H](c3cc(-c4ccc(C(F)(F)F)cc4)c(OC(C)(C)C)cn3)N2)C1=O.Cl.

What is the InChIKey of (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?

The InChIKey is CVYJIOOYRVYMKH-IMIWJGOWSA-N. The full InChI is InChI=1S/C24H28F3N3O2.ClH/c1-22(2,3)32-20-14-28-19(18-9-10-23(29-18)11-12-30(4)21(23)31)13-17(20)15-5-7-16(8-6-15)24(25,26)27;/h5-8,13-14,18,29H,9-12H2,1-4H3;1H/t18-,23+;/m1./s1.

What are the key properties of (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride?

(2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride has a molecular weight of 483.96 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-7-methyl-2-[5-[(2-methylpropan-2-yl)oxy]-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-1,7-diazaspiro[4.4]nonan-6-one;hydrochloride is sourced from PubChem (CID 118293771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).