[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid

C21H24F3N5O3 — CID 155827028

About [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid

[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155827028) has the molecular formula C21H24F3N5O3 and a molecular weight of 451.45 g/mol. Its IUPAC name is [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155827028
• Molecular Formula: C21H24F3N5O3
• Molecular Weight: 451.45 g/mol
• Exact Mass: 451.18
• IUPAC Name: [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: Cc1cccc(N2CCC3(CCCN(C(=O)c4cnccn4)C3)C2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H23N5O.C2HF3O2/c1-15-4-2-5-17(22-15)23-11-7-19(13-23)6-3-10-24(14-19)18(25)16-12-20-8-9-21-16;3-2(4,5)1(6)7/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3;(H,6,7)
• InChIKey: OBHCTWOIIWJPSE-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 99.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.45
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155827028) is [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid is Cc1cccc(N2CCC3(CCCN(C(=O)c4cnccn4)C3)C2)n1.O=C(O)C(F)(F)F.

What is the InChIKey of [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is OBHCTWOIIWJPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.C2HF3O2/c1-15-4-2-5-17(22-15)23-11-7-19(13-23)6-3-10-24(14-19)18(25)16-12-20-8-9-21-16;3-2(4,5)1(6)7/h2,4-5,8-9,12H,3,6-7,10-11,13-14H2,1H3;(H,6,7).

What are the key properties of [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid?

[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 451.45 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).