1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H23N5O3 — CID 30039321

About 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 30039321) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 30039321
• Molecular Formula: C27H23N5O3
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.18
• IUPAC Name: 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: O=C(CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)NCc1ccco1
• InChI: InChI=1S/C27H23N5O3/c33-25(28-15-21-12-7-13-35-21)17-29-27(34)22-14-24(20-10-5-2-6-11-20)31-26-23(22)16-30-32(26)18-19-8-3-1-4-9-19/h1-14,16H,15,17-18H2,(H,28,33)(H,29,34)
• InChIKey: JQGVSHSHSPRTNA-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 30039321) is 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is O=C(CNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1)NCc1ccco1.

What is the InChIKey of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is JQGVSHSHSPRTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c33-25(28-15-21-12-7-13-35-21)17-29-27(34)22-14-24(20-10-5-2-6-11-20)31-26-23(22)16-30-32(26)18-19-8-3-1-4-9-19/h1-14,16H,15,17-18H2,(H,28,33)(H,29,34).

What are the key properties of 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 30039321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).