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

C20H22F7N3O5 — CID 118746431

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

6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746431) has the molecular formula C20H22F7N3O5 and a molecular weight of 517.40 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746431
• Molecular Formula: C20H22F7N3O5
• Molecular Weight: 517.40 g/mol
• Exact Mass: 517.14
• IUPAC Name: 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: COCC1c2c(cnn2C)CCN1Cc1ccc(F)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H20FN3O.2C2HF3O2/c1-19-16-13(9-18-19)7-8-20(15(16)11-21-2)10-12-3-5-14(17)6-4-12;2*3-2(4,5)1(6)7/h3-6,9,15H,7-8,10-11H2,1-2H3;2*(H,6,7)
• InChIKey: GBSUHFSNFFMLLC-UHFFFAOYSA-N
• XLogP: 3.57
• 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	517.40
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746431) is 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is COCC1c2c(cnn2C)CCN1Cc1ccc(F)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is GBSUHFSNFFMLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O.2C2HF3O2/c1-19-16-13(9-18-19)7-8-20(15(16)11-21-2)10-12-3-5-14(17)6-4-12;2*3-2(4,5)1(6)7/h3-6,9,15H,7-8,10-11H2,1-2H3;2*(H,6,7).

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

6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 517.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-fluorophenyl)methyl]-7-(methoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).