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

C25H21N3O2 — CID 1480140

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

(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 1480140) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 1480140
• Molecular Formula: C25H21N3O2
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.16
• IUPAC Name: (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1
• InChI: InChI=1S/C25H21N3O2/c1-30-20-14-12-17(13-15-20)21-16-22(29)26-25-23(21)24(18-8-4-2-5-9-18)27-28(25)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,26,29)/t21-/m1/s1
• InChIKey: JWSNKLYGUCHNQX-OAQYLSRUSA-N
• XLogP: 5.02
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 1480140) is (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

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

The canonical SMILES for (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1.

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

The InChIKey is JWSNKLYGUCHNQX-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-30-20-14-12-17(13-15-20)21-16-22(29)26-25-23(21)24(18-8-4-2-5-9-18)27-28(25)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3,(H,26,29)/t21-/m1/s1.

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

(4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 395.46 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(4-methoxyphenyl)-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 1480140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).