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

C21H24F6N4O5 — CID 118746640

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

5-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746640) has the molecular formula C21H24F6N4O5 and a molecular weight of 526.43 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746640
• Molecular Formula: C21H24F6N4O5
• Molecular Weight: 526.43 g/mol
• Exact Mass: 526.17
• IUPAC Name: 5-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1nc(COc2cccnc2)c2c1CCN(CC1CC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H22N4O.2C2HF3O2/c1-20-17-6-8-21(10-13-4-5-13)11-15(17)16(19-20)12-22-14-3-2-7-18-9-14;2*3-2(4,5)1(6)7/h2-3,7,9,13H,4-6,8,10-12H2,1H3;2*(H,6,7)
• InChIKey: LRDAMUIISSWXDL-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 117.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.43
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746640) is 5-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1nc(COc2cccnc2)c2c1CCN(CC1CC1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is LRDAMUIISSWXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.2C2HF3O2/c1-20-17-6-8-21(10-13-4-5-13)11-15(17)16(19-20)12-22-14-3-2-7-18-9-14;2*3-2(4,5)1(6)7/h2-3,7,9,13H,4-6,8,10-12H2,1H3;2*(H,6,7).

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

5-(cyclopropylmethyl)-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 526.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopropylmethyl)-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 118746640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).