5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)

C20H24F6N4O6 — CID 118746644

About 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)

5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746644) has the molecular formula C20H24F6N4O6 and a molecular weight of 530.42 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746644
• Molecular Formula: C20H24F6N4O6
• Molecular Weight: 530.42 g/mol
• Exact Mass: 530.16
• IUPAC Name: 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCCN1CCc2c(c(COc3cccnc3)nn2C)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H22N4O2.2C2HF3O2/c1-19-16-5-7-20(8-9-21-2)11-14(16)15(18-19)12-22-13-4-3-6-17-10-13;2*3-2(4,5)1(6)7/h3-4,6,10H,5,7-9,11-12H2,1-2H3;2*(H,6,7)
• InChIKey: QFAXSGPFXYCFOH-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 127.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.42
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746644) is 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is COCCN1CCc2c(c(COc3cccnc3)nn2C)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is QFAXSGPFXYCFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.2C2HF3O2/c1-19-16-5-7-20(8-9-21-2)11-14(16)15(18-19)12-22-13-4-3-6-17-10-13;2*3-2(4,5)1(6)7/h3-4,6,10H,5,7-9,11-12H2,1-2H3;2*(H,6,7).

What are the key properties of 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)?

5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 530.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).