2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone

C30H36ClN5O4S — CID 46909375

About 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone

2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone (PubChem CID 46909375) has the molecular formula C30H36ClN5O4S and a molecular weight of 598.17 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

• Compound Name: 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
• PubChem CID: 46909375
• Molecular Formula: C30H36ClN5O4S
• Molecular Weight: 598.17 g/mol
• Exact Mass: 597.22
• IUPAC Name: 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone
• SMILES: Cc1cccc(Cl)c1S(=O)(=O)N1CCn2cccc2C1COCC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2
• InChI: InChI=1S/C30H36ClN5O4S/c1-23-4-2-5-25(31)29(23)41(38,39)36-19-18-33-14-3-6-26(33)27(36)20-40-21-28(37)34-15-9-30(10-16-34)11-17-35(22-30)24-7-12-32-13-8-24/h2-8,12-14,27H,9-11,15-22H2,1H3
• InChIKey: SZUGSHSBSCVUMN-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 87.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	598.17
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?

The IUPAC name of 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone (CID 46909375) is 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone.

What is the SMILES notation for 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?

The canonical SMILES for 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone is Cc1cccc(Cl)c1S(=O)(=O)N1CCn2cccc2C1COCC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2.

What is the InChIKey of 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?

The InChIKey is SZUGSHSBSCVUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36ClN5O4S/c1-23-4-2-5-25(31)29(23)41(38,39)36-19-18-33-14-3-6-26(33)27(36)20-40-21-28(37)34-15-9-30(10-16-34)11-17-35(22-30)24-7-12-32-13-8-24/h2-8,12-14,27H,9-11,15-22H2,1H3.

What are the key properties of 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone?

2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 598.17 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-1-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 46909375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).