N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C17H19BrN4OS — CID 24617983

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24617983) has the molecular formula C17H19BrN4OS and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 24617983
• Molecular Formula: C17H19BrN4OS
• Molecular Weight: 407.34 g/mol
• Exact Mass: 406.05
• IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1ccc(Br)s1
• InChI: InChI=1S/C17H19BrN4OS/c1-10(2)22-16-12(9-20-22)8-14(11(3)21-16)17(23)19-7-6-13-4-5-15(18)24-13/h4-5,8-10H,6-7H2,1-3H3,(H,19,23)
• InChIKey: QHPTVTTXBRCEHW-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.34
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 24617983) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1ccc(Br)s1.

What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is QHPTVTTXBRCEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4OS/c1-10(2)22-16-12(9-20-22)8-14(11(3)21-16)17(23)19-7-6-13-4-5-15(18)24-13/h4-5,8-10H,6-7H2,1-3H3,(H,19,23).

What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 407.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24617983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).