4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

C24H25F3N6O4 — CID 158648819

About 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid

4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 158648819) has the molecular formula C24H25F3N6O4 and a molecular weight of 518.50 g/mol. Its IUPAC name is 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 158648819
• Molecular Formula: C24H25F3N6O4
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.19
• IUPAC Name: 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCC3CCNCC3)cccc21.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H24N6O2.C2HF3O2/c1-28-11-16(14-9-17(21(23)29)26-22-15(14)10-25-27-22)20-18(28)3-2-4-19(20)30-12-13-5-7-24-8-6-13;3-2(4,5)1(6)7/h2-4,9-11,13,24H,5-8,12H2,1H3,(H2,23,29)(H,25,26,27);(H,6,7)
• InChIKey: LYBSIISDXNNWDJ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 148.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid (CID 158648819) is 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is Cn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2c(OCC3CCNCC3)cccc21.O=C(O)C(F)(F)F.

What is the InChIKey of 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is LYBSIISDXNNWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2.C2HF3O2/c1-28-11-16(14-9-17(21(23)29)26-22-15(14)10-25-27-22)20-18(28)3-2-4-19(20)30-12-13-5-7-24-8-6-13;3-2(4,5)1(6)7/h2-4,9-11,13,24H,5-8,12H2,1H3,(H2,23,29)(H,25,26,27);(H,6,7).

What are the key properties of 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid?

4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 518.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-methyl-4-(piperidin-4-ylmethoxy)indol-3-yl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158648819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).