2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)

C23H26F6N6O5 — CID 155855334

About 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)

2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155855334) has the molecular formula C23H26F6N6O5 and a molecular weight of 580.49 g/mol. Its IUPAC name is 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155855334
• Molecular Formula: C23H26F6N6O5
• Molecular Weight: 580.49 g/mol
• Exact Mass: 580.19
• IUPAC Name: 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCc1cnc(N2CCC3(C2)CN(c2cccnc2)C(=O)CN3C)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H24N6O.2C2HF3O2/c1-3-15-9-21-18(22-10-15)24-8-6-19(13-24)14-25(17(26)12-23(19)2)16-5-4-7-20-11-16;2*3-2(4,5)1(6)7/h4-5,7,9-11H,3,6,8,12-14H2,1-2H3;2*(H,6,7)
• InChIKey: GGISEEZUQZCAPZ-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 140.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.49
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) (CID 155855334) is 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) is CCc1cnc(N2CCC3(C2)CN(c2cccnc2)C(=O)CN3C)nc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is GGISEEZUQZCAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.2C2HF3O2/c1-3-15-9-21-18(22-10-15)24-8-6-19(13-24)14-25(17(26)12-23(19)2)16-5-4-7-20-11-16;2*3-2(4,5)1(6)7/h4-5,7,9-11H,3,6,8,12-14H2,1-2H3;2*(H,6,7).

What are the key properties of 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid)?

2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 580.49 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-ethylpyrimidin-2-yl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155855334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).