2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide

C32H38F3N5O7S — CID 177115445

About 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide

2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide (PubChem CID 177115445) has the molecular formula C32H38F3N5O7S and a molecular weight of 693.75 g/mol. Its IUPAC name is 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide
• PubChem CID: 177115445
• Molecular Formula: C32H38F3N5O7S
• Molecular Weight: 693.75 g/mol
• Exact Mass: 693.24
• IUPAC Name: 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide
• SMILES: COCC1CN(c2cc(C)c3c4c(c(=O)oc3c2C)CN(C(=O)c2cc(C(F)(F)F)c(C(N)=O)c(S(=O)(=O)N(C)C)c2)CC4)CCN1C
• InChI: InChI=1S/C32H38F3N5O7S/c1-17-11-24(39-10-9-38(5)20(14-39)16-46-6)18(2)28-26(17)21-7-8-40(15-22(21)31(43)47-28)30(42)19-12-23(32(33,34)35)27(29(36)41)25(13-19)48(44,45)37(3)4/h11-13,20H,7-10,14-16H2,1-6H3,(H2,36,41)
• InChIKey: XDTNJLAHBDFNPP-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 146.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	693.75
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide?

The IUPAC name of 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide (CID 177115445) is 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide.

What is the SMILES notation for 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide?

The canonical SMILES for 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide is COCC1CN(c2cc(C)c3c4c(c(=O)oc3c2C)CN(C(=O)c2cc(C(F)(F)F)c(C(N)=O)c(S(=O)(=O)N(C)C)c2)CC4)CCN1C.

What is the InChIKey of 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide?

The InChIKey is XDTNJLAHBDFNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N5O7S/c1-17-11-24(39-10-9-38(5)20(14-39)16-46-6)18(2)28-26(17)21-7-8-40(15-22(21)31(43)47-28)30(42)19-12-23(32(33,34)35)27(29(36)41)25(13-19)48(44,45)37(3)4/h11-13,20H,7-10,14-16H2,1-6H3,(H2,36,41).

What are the key properties of 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide?

2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide has a molecular weight of 693.75 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylsulfamoyl)-4-[8-[3-(methoxymethyl)-4-methylpiperazin-1-yl]-7,10-dimethyl-5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl]-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 177115445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).