1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone

C30H34F3N5O4S — CID 59486410

About 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone

1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone (PubChem CID 59486410) has the molecular formula C30H34F3N5O4S and a molecular weight of 617.69 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone.

Molecular Properties

• Compound Name: 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone
• PubChem CID: 59486410
• Molecular Formula: C30H34F3N5O4S
• Molecular Weight: 617.69 g/mol
• Exact Mass: 617.23
• IUPAC Name: 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone
• SMILES: O=C(COCC1c2cccn2CCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC2(CC1)CCN(c1ccncc1)C2
• InChI: InChI=1S/C30H34F3N5O4S/c31-30(32,33)24-4-1-2-6-27(24)43(40,41)38-19-18-35-14-3-5-25(35)26(38)20-42-21-28(39)36-15-9-29(10-16-36)11-17-37(22-29)23-7-12-34-13-8-23/h1-8,12-14,26H,9-11,15-22H2
• InChIKey: FOZRUQXXDOKJAA-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 87.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	617.69
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone?

The IUPAC name of 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone (CID 59486410) is 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone.

What is the SMILES notation for 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone?

The canonical SMILES for 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone is O=C(COCC1c2cccn2CCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC2(CC1)CCN(c1ccncc1)C2.

What is the InChIKey of 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone?

The InChIKey is FOZRUQXXDOKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N5O4S/c31-30(32,33)24-4-1-2-6-27(24)43(40,41)38-19-18-35-14-3-5-25(35)26(38)20-42-21-28(39)36-15-9-29(10-16-36)11-17-37(22-29)23-7-12-34-13-8-23/h1-8,12-14,26H,9-11,15-22H2.

What are the key properties of 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone?

1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone has a molecular weight of 617.69 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)-2-[[2-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]ethanone is sourced from PubChem (CID 59486410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).