1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C20H27Cl2N5OS — CID 119533511

About 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119533511) has the molecular formula C20H27Cl2N5OS and a molecular weight of 456.44 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 119533511
• Molecular Formula: C20H27Cl2N5OS
• Molecular Weight: 456.44 g/mol
• Exact Mass: 455.13
• IUPAC Name: 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: CC(C)n1ncc2c(C(=O)NCCC3CCNC3)cc(-c3cccs3)nc21.Cl.Cl
• InChI: InChI=1S/C20H25N5OS.2ClH/c1-13(2)25-19-16(12-23-25)15(10-17(24-19)18-4-3-9-27-18)20(26)22-8-6-14-5-7-21-11-14;;/h3-4,9-10,12-14,21H,5-8,11H2,1-2H3,(H,22,26);2*1H
• InChIKey: IQKQNPJZLQFNLI-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.44
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119533511) is 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CC(C)n1ncc2c(C(=O)NCCC3CCNC3)cc(-c3cccs3)nc21.Cl.Cl.

What is the InChIKey of 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is IQKQNPJZLQFNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS.2ClH/c1-13(2)25-19-16(12-23-25)15(10-17(24-19)18-4-3-9-27-18)20(26)22-8-6-14-5-7-21-11-14;;/h3-4,9-10,12-14,21H,5-8,11H2,1-2H3,(H,22,26);2*1H.

What are the key properties of 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 456.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119533511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).