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

C21H25F6N3O5 — CID 118746228

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

7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746228) has the molecular formula C21H25F6N3O5 and a molecular weight of 513.44 g/mol. Its IUPAC name is 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746228
• Molecular Formula: C21H25F6N3O5
• Molecular Weight: 513.44 g/mol
• Exact Mass: 513.17
• IUPAC Name: 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1c2c(cnn2C)CCN1Cc1cccc(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H23N3O.2C2HF3O2/c1-13-5-4-6-14(9-13)11-20-8-7-15-10-18-19(2)17(15)16(20)12-21-3;2*3-2(4,5)1(6)7/h4-6,9-10,16H,7-8,11-12H2,1-3H3;2*(H,6,7)
• InChIKey: JWQAQXXGGWQBNP-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 104.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.44
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746228) is 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is COCC1c2c(cnn2C)CCN1Cc1cccc(C)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is JWQAQXXGGWQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.2C2HF3O2/c1-13-5-4-6-14(9-13)11-20-8-7-15-10-18-19(2)17(15)16(20)12-21-3;2*3-2(4,5)1(6)7/h4-6,9-10,16H,7-8,11-12H2,1-3H3;2*(H,6,7).

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

7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 513.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(methoxymethyl)-1-methyl-6-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).