N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

C19H27Cl2N5OS — CID 119508664

About N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride

N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119508664) has the molecular formula C19H27Cl2N5OS and a molecular weight of 444.43 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• PubChem CID: 119508664
• Molecular Formula: C19H27Cl2N5OS
• Molecular Weight: 444.43 g/mol
• Exact Mass: 443.13
• IUPAC Name: N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
• SMILES: CCNCCNC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C.Cl.Cl
• InChI: InChI=1S/C19H25N5OS.2ClH/c1-5-20-8-9-21-19(25)14-10-16(17-7-6-13(4)26-17)23-18-15(14)11-22-24(18)12(2)3;;/h6-7,10-12,20H,5,8-9H2,1-4H3,(H,21,25);2*1H
• InChIKey: TVOWOORBKQBLJV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.43
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The IUPAC name of N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride (CID 119508664) is N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride.

What is the SMILES notation for N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The canonical SMILES for N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is CCNCCNC(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C.Cl.Cl.

What is the InChIKey of N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

The InChIKey is TVOWOORBKQBLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS.2ClH/c1-5-20-8-9-21-19(25)14-10-16(17-7-6-13(4)26-17)23-18-15(14)11-22-24(18)12(2)3;;/h6-7,10-12,20H,5,8-9H2,1-4H3,(H,21,25);2*1H.

What are the key properties of N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride?

N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 444.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(ethylamino)ethyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119508664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).