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

C22H25F6N5O6 — CID 171685855

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

[2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171685855) has the molecular formula C22H25F6N5O6 and a molecular weight of 569.46 g/mol. Its IUPAC name is [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171685855
• Molecular Formula: C22H25F6N5O6
• Molecular Weight: 569.46 g/mol
• Exact Mass: 569.17
• IUPAC Name: [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1cc2c(n1)C(COc1cccnc1)CN(C(=O)N1CCCC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H23N5O2.2C2HF3O2/c1-21-10-14-11-23(18(24)22-7-2-3-8-22)12-15(17(14)20-21)13-25-16-5-4-6-19-9-16;2*3-2(4,5)1(6)7/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3;2*(H,6,7)
• InChIKey: HOXVUIDEWUDZOL-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 138.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.46
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 171685855) is [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) is Cn1cc2c(n1)C(COc1cccnc1)CN(C(=O)N1CCCC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is HOXVUIDEWUDZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.2C2HF3O2/c1-21-10-14-11-23(18(24)22-7-2-3-8-22)12-15(17(14)20-21)13-25-16-5-4-6-19-9-16;2*3-2(4,5)1(6)7/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3;2*(H,6,7).

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

[2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 569.46 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-methyl-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171685855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).