(4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C19H16FN3O2 — CID 135930793

About (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

(4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 135930793) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135930793
• Molecular Formula: C19H16FN3O2
• Molecular Weight: 337.35 g/mol
• Exact Mass: 337.12
• IUPAC Name: (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
• SMILES: O=C1C[C@H](c2ccccc2OCc2ccccc2F)c2cn[nH]c2N1
• InChI: InChI=1S/C19H16FN3O2/c20-16-7-3-1-5-12(16)11-25-17-8-4-2-6-13(17)14-9-18(24)22-19-15(14)10-21-23-19/h1-8,10,14H,9,11H2,(H2,21,22,23,24)/t14-/m1/s1
• InChIKey: MEYCYUMYXOJROS-CQSZACIVSA-N
• XLogP: 3.60
• TPSA: 67.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.35
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 135930793) is (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is O=C1C[C@H](c2ccccc2OCc2ccccc2F)c2cn[nH]c2N1.

What is the InChIKey of (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?

The InChIKey is MEYCYUMYXOJROS-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-16-7-3-1-5-12(16)11-25-17-8-4-2-6-13(17)14-9-18(24)22-19-15(14)10-21-23-19/h1-8,10,14H,9,11H2,(H2,21,22,23,24)/t14-/m1/s1.

What are the key properties of (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?

(4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 337.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-[2-[(2-fluorophenyl)methoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135930793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).