2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide

C34H37F7N4O4S — CID 73230359

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide (PubChem CID 73230359) has the molecular formula C34H37F7N4O4S and a molecular weight of 730.75 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide
• PubChem CID: 73230359
• Molecular Formula: C34H37F7N4O4S
• Molecular Weight: 730.75 g/mol
• Exact Mass: 730.24
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide
• SMILES: COCC1CN2CCS(=O)(=O)CC2CN1c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C34H37F7N4O4S/c1-20-10-24(35)6-7-27(20)28-14-30(45-17-26-19-50(47,48)9-8-44(26)16-25(45)18-49-5)42-15-29(28)43(4)31(46)32(2,3)21-11-22(33(36,37)38)13-23(12-21)34(39,40)41/h6-7,10-15,25-26H,8-9,16-19H2,1-5H3
• InChIKey: DVHSVCSYOPUIBO-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.75
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide (CID 73230359) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide.

What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide is COCC1CN2CCS(=O)(=O)CC2CN1c1cc(-c2ccc(F)cc2C)c(N(C)C(=O)C(C)(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

The InChIKey is DVHSVCSYOPUIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F7N4O4S/c1-20-10-24(35)6-7-27(20)28-14-30(45-17-26-19-50(47,48)9-8-44(26)16-25(45)18-49-5)42-15-29(28)43(4)31(46)32(2,3)21-11-22(33(36,37)38)13-23(12-21)34(39,40)41/h6-7,10-15,25-26H,8-9,16-19H2,1-5H3.

What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide?

2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide has a molecular weight of 730.75 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[7-(methoxymethyl)-2,2-dioxo-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]thiazin-8-yl]-3-pyridinyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 73230359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).