N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H31N5O2S — CID 35363125

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 35363125) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 35363125
• Molecular Formula: C23H31N5O2S
• Molecular Weight: 441.60 g/mol
• Exact Mass: 441.22
• IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C23H31N5O2S/c1-8-27(13-20(29)26-23(5,6)7)22(30)16-11-18(19-10-9-15(4)31-19)25-21-17(16)12-24-28(21)14(2)3/h9-12,14H,8,13H2,1-7H3,(H,26,29)
• InChIKey: ZPHMWQPPGBKDSL-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.60
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 35363125) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccc(C)s2)nc2c1cnn2C(C)C.

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

The InChIKey is ZPHMWQPPGBKDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-8-27(13-20(29)26-23(5,6)7)22(30)16-11-18(19-10-9-15(4)31-19)25-21-17(16)12-24-28(21)14(2)3/h9-12,14H,8,13H2,1-7H3,(H,26,29).

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

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 441.60 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35363125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).