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

C20H28F6N4O4 — CID 118746498

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

6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746498) has the molecular formula C20H28F6N4O4 and a molecular weight of 502.46 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746498
• Molecular Formula: C20H28F6N4O4
• Molecular Weight: 502.46 g/mol
• Exact Mass: 502.20
• IUPAC Name: 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1nc(CN2CCCC2)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C16H26N4.2C2HF3O2/c1-18-16-12-20(10-13-4-5-13)9-6-14(16)15(17-18)11-19-7-2-3-8-19;2*3-2(4,5)1(6)7/h13H,2-12H2,1H3;2*(H,6,7)
• InChIKey: YBJKVUQLEGSEGU-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 98.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.46
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) (CID 118746498) is 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is Cn1nc(CN2CCCC2)c2c1CN(CC1CC1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is YBJKVUQLEGSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.2C2HF3O2/c1-18-16-12-20(10-13-4-5-13)9-6-14(16)15(17-18)11-19-7-2-3-8-19;2*3-2(4,5)1(6)7/h13H,2-12H2,1H3;2*(H,6,7).

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

6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 502.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(cyclopropylmethyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).