5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C86H100N16O9 — CID 159028442

About 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159028442) has the molecular formula C86H100N16O9 and a molecular weight of 1501.85 g/mol. Its IUPAC name is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 159028442
• Molecular Formula: C86H100N16O9
• Molecular Weight: 1501.85 g/mol
• Exact Mass: 1500.79
• IUPAC Name: 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(=O)[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1
• InChI: InChI=1S/C23H29N3O2.C22H24N4O3.C21H24N4O2.C20H23N5O2/c1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-14(27)25-10-6-20-19(13-25)21(24-26(20)15-7-11-29-12-8-15)17-3-2-4-18-16(17)5-9-23-22(18)28;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,15H,6-8,10-13H2,1H3,(H,23,28);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22)
• InChIKey: JUOMIOUSVPBGKG-UHFFFAOYSA-N
• XLogP: 12.30
• TPSA: 266.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.85
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159028442) is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4[nH]ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(=O)[nH]ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CCCC4)nn2C2CCOCC2)C1.

What is the InChIKey of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is JUOMIOUSVPBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2.C22H24N4O3.C21H24N4O2.C20H23N5O2/c1-16(27)25-12-9-22-21(15-25)23(24-26(22)18-10-13-28-14-11-18)20-8-4-6-17-5-2-3-7-19(17)20;1-14(27)25-10-6-20-19(13-25)21(24-26(20)15-7-11-29-12-8-15)17-3-2-4-18-16(17)5-9-23-22(18)28;1-14(26)24-10-6-20-18(13-24)21(23-25(20)15-7-11-27-12-8-15)17-3-2-4-19-16(17)5-9-22-19;1-13(26)24-8-5-19-17(12-24)20(23-25(19)14-6-9-27-10-7-14)15-3-2-4-18-16(15)11-21-22-18/h4,6,8,18H,2-3,5,7,9-15H2,1H3;2-5,9,15H,6-8,10-13H2,1H3,(H,23,28);2-5,9,15,22H,6-8,10-13H2,1H3;2-4,11,14H,5-10,12H2,1H3,(H,21,22).

What are the key properties of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1501.85 g/mol, XLogP of 12.30, 8 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-1-one;1-[3-(1H-indazol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159028442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).