4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid)

C24H27F9N4O7 — CID 118747150

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

4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 118747150) has the molecular formula C24H27F9N4O7 and a molecular weight of 654.48 g/mol. Its IUPAC name is 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid)
• PubChem CID: 118747150
• Molecular Formula: C24H27F9N4O7
• Molecular Weight: 654.48 g/mol
• Exact Mass: 654.17
• IUPAC Name: 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid)
• SMILES: Cn1ncc2c1CN(Cc1cccnc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H24N4O.3C2HF3O2/c1-21-18-11-22(9-15-3-2-6-19-7-15)10-16(17(18)8-20-21)13-23-12-14-4-5-14;3*3-2(4,5)1(6)7/h2-3,6-8,14,16H,4-5,9-13H2,1H3;3*(H,6,7)
• InChIKey: GUMUFFDRQRPKAY-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 155.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	654.48
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid) (CID 118747150) is 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid) is Cn1ncc2c1CN(Cc1cccnc1)CC2COCC1CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is GUMUFFDRQRPKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.3C2HF3O2/c1-21-18-11-22(9-15-3-2-6-19-7-15)10-16(17(18)8-20-21)13-23-12-14-4-5-14;3*3-2(4,5)1(6)7/h2-3,6-8,14,16H,4-5,9-13H2,1H3;3*(H,6,7).

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

4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 654.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylmethoxymethyl)-1-methyl-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118747150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).