N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H20BrN5O3 — CID 55879267

About N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55879267) has the molecular formula C22H20BrN5O3 and a molecular weight of 482.34 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55879267
• Molecular Formula: C22H20BrN5O3
• Molecular Weight: 482.34 g/mol
• Exact Mass: 481.07
• IUPAC Name: N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC(C)n1ncc2c(C(=O)NCC(=O)Nc3ccc(Br)cc3)cc(-c3ccco3)nc21
• InChI: InChI=1S/C22H20BrN5O3/c1-13(2)28-21-17(11-25-28)16(10-18(27-21)19-4-3-9-31-19)22(30)24-12-20(29)26-15-7-5-14(23)6-8-15/h3-11,13H,12H2,1-2H3,(H,24,30)(H,26,29)
• InChIKey: WLUCDTPXVKLZNQ-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.34
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55879267) is N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)n1ncc2c(C(=O)NCC(=O)Nc3ccc(Br)cc3)cc(-c3ccco3)nc21.

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

The InChIKey is WLUCDTPXVKLZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O3/c1-13(2)28-21-17(11-25-28)16(10-18(27-21)19-4-3-9-31-19)22(30)24-12-20(29)26-15-7-5-14(23)6-8-15/h3-11,13H,12H2,1-2H3,(H,24,30)(H,26,29).

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

N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 482.34 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-bromoanilino)-2-oxoethyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55879267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).