ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C26H35N5O3 — CID 126741820

About ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741820) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
• PubChem CID: 126741820
• Molecular Formula: C26H35N5O3
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.27
• IUPAC Name: ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
• SMILES: CCOC(=O)c1cc(N2CCC(OC)CC2)c2c(C(C)C)nn(-c3cccc(N(C)C)c3)c2n1
• InChI: InChI=1S/C26H35N5O3/c1-7-34-26(32)21-16-22(30-13-11-20(33-6)12-14-30)23-24(17(2)3)28-31(25(23)27-21)19-10-8-9-18(15-19)29(4)5/h8-10,15-17,20H,7,11-14H2,1-6H3
• InChIKey: NKRXSEMYEVPQNB-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 72.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The IUPAC name of ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741820) is ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

What is the SMILES notation for ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The canonical SMILES for ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(OC)CC2)c2c(C(C)C)nn(-c3cccc(N(C)C)c3)c2n1.

What is the InChIKey of ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The InChIKey is NKRXSEMYEVPQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-7-34-26(32)21-16-22(30-13-11-20(33-6)12-14-30)23-24(17(2)3)28-31(25(23)27-21)19-10-8-9-18(15-19)29(4)5/h8-10,15-17,20H,7,11-14H2,1-6H3.

What are the key properties of ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 465.60 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[3-(dimethylamino)phenyl]-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).