(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C26H23N3O3 — CID 135873552

About (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135873552) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135873552
• Molecular Formula: C26H23N3O3
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.17
• IUPAC Name: (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC
• InChI: InChI=1S/C26H23N3O3/c1-31-21-14-13-18(15-22(21)32-2)20-16-23(30)27-26-24(20)25(17-9-5-3-6-10-17)28-29(26)19-11-7-4-8-12-19/h3-15,20H,16H2,1-2H3,(H,27,30)/t20-/m0/s1
• InChIKey: QQAWGRLZPBJCSW-FQEVSTJZSA-N
• XLogP: 5.03
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135873552) is (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC.

What is the InChIKey of (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is QQAWGRLZPBJCSW-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-31-21-14-13-18(15-22(21)32-2)20-16-23(30)27-26-24(20)25(17-9-5-3-6-10-17)28-29(26)19-11-7-4-8-12-19/h3-15,20H,16H2,1-2H3,(H,27,30)/t20-/m0/s1.

What are the key properties of (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 425.49 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135873552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).