2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one

C23H21N7O — CID 24827899

About 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one

2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one (PubChem CID 24827899) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

• Compound Name: 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
• PubChem CID: 24827899
• Molecular Formula: C23H21N7O
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.18
• IUPAC Name: 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
• SMILES: CCn1c(=O)c2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
• InChI: InChI=1S/C23H21N7O/c1-3-29-23(31)20-13-8-15(2)24-22(20)30(29)14-16-9-11-17(12-10-16)18-6-4-5-7-19(18)21-25-27-28-26-21/h4-13H,3,14H2,1-2H3,(H,25,26,27,28)
• InChIKey: PZSFAMFZXZAOHP-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?

The IUPAC name of 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one (CID 24827899) is 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one.

What is the SMILES notation for 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?

The canonical SMILES for 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one is CCn1c(=O)c2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.

What is the InChIKey of 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?

The InChIKey is PZSFAMFZXZAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-3-29-23(31)20-13-8-15(2)24-22(20)30(29)14-16-9-11-17(12-10-16)18-6-4-5-7-19(18)21-25-27-28-26-21/h4-13H,3,14H2,1-2H3,(H,25,26,27,28).

What are the key properties of 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?

2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 411.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-6-methyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 24827899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).