2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

C80H72F4N12O8 — CID 160652020

About 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone

2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (PubChem CID 160652020) has the molecular formula C80H72F4N12O8 and a molecular weight of 1405.52 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

Molecular Properties

• Compound Name: 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
• PubChem CID: 160652020
• Molecular Formula: C80H72F4N12O8
• Molecular Weight: 1405.52 g/mol
• Exact Mass: 1404.55
• IUPAC Name: 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone
• SMILES: O=C(COc1cccc(F)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3F)c2C1
• InChI: InChI=1S/4C20H18FN3O2/c21-15-6-4-5-14(11-15)20-17-12-24(10-9-18(17)22-23-20)19(25)13-26-16-7-2-1-3-8-16;21-17-9-5-4-8-15(17)20-16-12-24(11-10-18(16)22-23-20)19(25)13-26-14-6-2-1-3-7-14;21-15-7-4-8-16(11-15)26-13-19(25)24-10-9-18-17(12-24)20(23-22-18)14-5-2-1-3-6-14;21-15-8-6-14(7-9-15)20-17-12-24(11-10-18(17)22-23-20)19(25)13-26-16-4-2-1-3-5-16/h1-8,11H,9-10,12-13H2,(H,22,23);1-9H,10-13H2,(H,22,23);1-8,11H,9-10,12-13H2,(H,22,23);1-9H,10-13H2,(H,22,23)
• InChIKey: RKNWTFBRWRZCLO-UHFFFAOYSA-N
• XLogP: 12.72
• TPSA: 232.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1405.52
LogP ≤ 5	12.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?

The IUPAC name of 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone (CID 160652020) is 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone.

What is the SMILES notation for 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?

The canonical SMILES for 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is O=C(COc1cccc(F)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1.O=C(COc1ccccc1)N1CCc2[nH]nc(-c3ccccc3F)c2C1.

What is the InChIKey of 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?

The InChIKey is RKNWTFBRWRZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H18FN3O2/c21-15-6-4-5-14(11-15)20-17-12-24(10-9-18(17)22-23-20)19(25)13-26-16-7-2-1-3-8-16;21-17-9-5-4-8-15(17)20-16-12-24(11-10-18(16)22-23-20)19(25)13-26-14-6-2-1-3-7-14;21-15-7-4-8-16(11-15)26-13-19(25)24-10-9-18-17(12-24)20(23-22-18)14-5-2-1-3-6-14;21-15-8-6-14(7-9-15)20-17-12-24(11-10-18(17)22-23-20)19(25)13-26-16-4-2-1-3-5-16/h1-8,11H,9-10,12-13H2,(H,22,23);1-9H,10-13H2,(H,22,23);1-8,11H,9-10,12-13H2,(H,22,23);1-9H,10-13H2,(H,22,23).

What are the key properties of 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone?

2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone has a molecular weight of 1405.52 g/mol, XLogP of 12.72, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone;1-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone;1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 160652020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).