ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline

C30H43F3N8O2 — CID 145105964

About ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline

ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline (PubChem CID 145105964) has the molecular formula C30H43F3N8O2 and a molecular weight of 604.72 g/mol. Its IUPAC name is ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline.

Molecular Properties

• Compound Name: ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline
• PubChem CID: 145105964
• Molecular Formula: C30H43F3N8O2
• Molecular Weight: 604.72 g/mol
• Exact Mass: 604.35
• IUPAC Name: ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline
• SMILES: CC.CN1CCc2c(c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C(F)(F)F)cc43)nn2C2CCOCC2)C1.CNC=O
• InChI: InChI=1S/C26H32F3N7O.C2H5NO.C2H6/c1-32-7-4-22-20(16-32)25(31-36(22)18-5-10-37-11-6-18)35-9-8-33(2)23-12-19(17-14-30-34(3)15-17)21(13-24(23)35)26(27,28)29;1-3-2-4;1-2/h12-15,18H,4-11,16H2,1-3H3;2H,1H3,(H,3,4);1-2H3
• InChIKey: POYVGGHCSKKFMP-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 83.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.72
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline?

The IUPAC name of ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline (CID 145105964) is ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline.

What is the SMILES notation for ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline?

The canonical SMILES for ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline is CC.CN1CCc2c(c(N3CCN(C)c4cc(-c5cnn(C)c5)c(C(F)(F)F)cc43)nn2C2CCOCC2)C1.CNC=O.

What is the InChIKey of ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline?

The InChIKey is POYVGGHCSKKFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N7O.C2H5NO.C2H6/c1-32-7-4-22-20(16-32)25(31-36(22)18-5-10-37-11-6-18)35-9-8-33(2)23-12-19(17-14-30-34(3)15-17)21(13-24(23)35)26(27,28)29;1-3-2-4;1-2/h12-15,18H,4-11,16H2,1-3H3;2H,1H3,(H,3,4);1-2H3.

What are the key properties of ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline?

ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline has a molecular weight of 604.72 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-methylformamide;1-methyl-4-[5-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 145105964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).