2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide

C30H38ClN5O4S — CID 46908107

About 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide

2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide (PubChem CID 46908107) has the molecular formula C30H38ClN5O4S and a molecular weight of 600.19 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]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
• PubChem CID: 46908107
• Molecular Formula: C30H38ClN5O4S
• Molecular Weight: 600.19 g/mol
• Exact Mass: 599.23
• IUPAC Name: 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide
• SMILES: Cc1cccc(Cl)c1S(=O)(=O)N1CCn2cccc2C1COCC(=O)N(C)CCC1CCN(c2ccncc2)CC1
• InChI: InChI=1S/C30H38ClN5O4S/c1-23-5-3-6-26(31)30(23)41(38,39)36-20-19-35-15-4-7-27(35)28(36)21-40-22-29(37)33(2)16-10-24-11-17-34(18-12-24)25-8-13-32-14-9-25/h3-9,13-15,24,28H,10-12,16-22H2,1-2H3
• InChIKey: DUSXVDXZZIJHDP-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 87.98 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.19
LogP ≤ 5	4.37
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]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?

The IUPAC name of 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide (CID 46908107) is 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide.

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]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?

The canonical SMILES for 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide is Cc1cccc(Cl)c1S(=O)(=O)N1CCn2cccc2C1COCC(=O)N(C)CCC1CCN(c2ccncc2)CC1.

What is the InChIKey of 2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?

The InChIKey is DUSXVDXZZIJHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN5O4S/c1-23-5-3-6-26(31)30(23)41(38,39)36-20-19-35-15-4-7-27(35)28(36)21-40-22-29(37)33(2)16-10-24-11-17-34(18-12-24)25-8-13-32-14-9-25/h3-9,13-15,24,28H,10-12,16-22H2,1-2H3.

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]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide?

2-[[2-(2-chloro-6-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]methoxy]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 600.19 g/mol, XLogP of 4.37, 10 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]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 46908107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).