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

C23H26F7N3O5 — CID 118746174

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

4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746174) has the molecular formula C23H26F7N3O5 and a molecular weight of 557.46 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746174
• Molecular Formula: C23H26F7N3O5
• Molecular Weight: 557.46 g/mol
• Exact Mass: 557.18
• IUPAC Name: 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1ncc2c1CN(Cc1ccc(F)cc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H24FN3O.2C2HF3O2/c1-22-19-11-23(9-14-4-6-17(20)7-5-14)10-16(18(19)8-21-22)13-24-12-15-2-3-15;2*3-2(4,5)1(6)7/h4-8,15-16H,2-3,9-13H2,1H3;2*(H,6,7)
• InChIKey: QBRKAYPUPYOYMG-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 104.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.46
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746174) is 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1ncc2c1CN(Cc1ccc(F)cc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is QBRKAYPUPYOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O.2C2HF3O2/c1-22-19-11-23(9-14-4-6-17(20)7-5-14)10-16(18(19)8-21-22)13-24-12-15-2-3-15;2*3-2(4,5)1(6)7/h4-8,15-16H,2-3,9-13H2,1H3;2*(H,6,7).

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

4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 557.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylmethoxymethyl)-6-[(4-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).