4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C28H21N3O — CID 135620906

About 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135620906) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135620906
• Molecular Formula: C28H21N3O
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.17
• IUPAC Name: 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: O=C1CC(c2cccc3ccccc23)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1
• InChI: InChI=1S/C28H21N3O/c32-25-18-24(23-17-9-13-19-10-7-8-16-22(19)23)26-27(20-11-3-1-4-12-20)30-31(28(26)29-25)21-14-5-2-6-15-21/h1-17,24H,18H2,(H,29,32)
• InChIKey: FOWAYWXJNALOPM-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135620906) is 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

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

The canonical SMILES for 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is O=C1CC(c2cccc3ccccc23)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1.

What is the InChIKey of 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is FOWAYWXJNALOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O/c32-25-18-24(23-17-9-13-19-10-7-8-16-22(19)23)26-27(20-11-3-1-4-12-20)30-31(28(26)29-25)21-14-5-2-6-15-21/h1-17,24H,18H2,(H,29,32).

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

4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 415.50 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-1-yl-1,3-diphenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135620906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).