N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide

C24H21N5O2S — CID 46306630

About N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide

N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (PubChem CID 46306630) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
• PubChem CID: 46306630
• Molecular Formula: C24H21N5O2S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
• SMILES: Cc1cc(=O)n(C(C)C(=O)Nc2nc3ccccc3s2)c2c1c(C)nn2-c1ccccc1
• InChI: InChI=1S/C24H21N5O2S/c1-14-13-20(30)28(23-21(14)15(2)27-29(23)17-9-5-4-6-10-17)16(3)22(31)26-24-25-18-11-7-8-12-19(18)32-24/h4-13,16H,1-3H3,(H,25,26,31)
• InChIKey: WMUBVZIXOBSFIP-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide (CID 46306630) is N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is Cc1cc(=O)n(C(C)C(=O)Nc2nc3ccccc3s2)c2c1c(C)nn2-c1ccccc1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?

The InChIKey is WMUBVZIXOBSFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-14-13-20(30)28(23-21(14)15(2)27-29(23)17-9-5-4-6-10-17)16(3)22(31)26-24-25-18-11-7-8-12-19(18)32-24/h4-13,16H,1-3H3,(H,25,26,31).

What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide?

N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide has a molecular weight of 443.53 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide is sourced from PubChem (CID 46306630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).