1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C24H23N5O3 — CID 78891757

About 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 78891757) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 78891757
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CN(C)C(=O)COc1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1
• InChI: InChI=1S/C24H23N5O3/c1-28(2)22(30)16-32-21-10-6-9-20(12-21)27-24(31)19-11-18-14-26-29(23(18)25-13-19)15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H,27,31)
• InChIKey: VYJPGEZTAGHEJV-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 78891757) is 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CN(C)C(=O)COc1cccc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c1.

What is the InChIKey of 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is VYJPGEZTAGHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-28(2)22(30)16-32-21-10-6-9-20(12-21)27-24(31)19-11-18-14-26-29(23(18)25-13-19)15-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H,27,31).

What are the key properties of 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 78891757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).