N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide

C24H25N5O2 — CID 59836155

About N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide (PubChem CID 59836155) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
• PubChem CID: 59836155
• Molecular Formula: C24H25N5O2
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.20
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide
• SMILES: COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)NCCN(C)C)c3)cc12
• InChI: InChI=1S/C24H25N5O2/c1-29(2)12-11-25-24(30)17-8-6-7-16(13-17)18-14-20-22(27-28-23(20)26-15-18)19-9-4-5-10-21(19)31-3/h4-10,13-15H,11-12H2,1-3H3,(H,25,30)(H,26,27,28)
• InChIKey: DXTBCDCARKGSPR-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide (CID 59836155) is N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide is COc1ccccc1-c1[nH]nc2ncc(-c3cccc(C(=O)NCCN(C)C)c3)cc12.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide?

The InChIKey is DXTBCDCARKGSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-29(2)12-11-25-24(30)17-8-6-7-16(13-17)18-14-20-22(27-28-23(20)26-15-18)19-9-4-5-10-21(19)31-3/h4-10,13-15H,11-12H2,1-3H3,(H,25,30)(H,26,27,28).

What are the key properties of N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide?

N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 59836155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).