5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one

C132H152N28O15 — CID 159474807

About 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one (PubChem CID 159474807) has the molecular formula C132H152N28O15 and a molecular weight of 2370.85 g/mol. Its IUPAC name is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one.

Molecular Properties

• Compound Name: 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one
• PubChem CID: 159474807
• Molecular Formula: C132H152N28O15
• Molecular Weight: 2370.85 g/mol
• Exact Mass: 2369.20
• IUPAC Name: 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(c3ccc(N(C)C)nc3)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(c3cnn(C)c3)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(c3cnn(C)c3C)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c[nH]c(=O)cc34)nn2C2CCOCC2)C1.CNc1ccc(N2Cc3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3CC2=O)cn1
• InChI: InChI=1S/C29H34N6O3.C28H32N6O3.C27H32N6O3.C26H30N6O3.C22H24N4O3/c1-19(36)33-12-9-26-25(18-33)29(31-35(26)21-10-13-38-14-11-21)23-6-4-5-20-17-34(28(37)15-24(20)23)22-7-8-27(30-16-22)32(2)3;1-18(35)32-11-8-25-24(17-32)28(31-34(25)20-9-12-37-13-10-20)22-5-3-4-19-16-33(27(36)14-23(19)22)21-6-7-26(29-2)30-15-21;1-17-25(14-28-30(17)3)32-15-19-5-4-6-21(22(19)13-26(32)35)27-23-16-31(18(2)34)10-7-24(23)33(29-27)20-8-11-36-12-9-20;1-17(33)30-9-6-24-23(16-30)26(28-32(24)19-7-10-35-11-8-19)21-5-3-4-18-14-31(25(34)12-22(18)21)20-13-27-29(2)15-20;1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h4-8,16,21H,9-15,17-18H2,1-3H3;3-7,15,20H,8-14,16-17H2,1-2H3,(H,29,30);4-6,14,20H,7-13,15-16H2,1-3H3;3-5,13,15,19H,6-12,14,16H2,1-2H3;2-4,11-12,16H,5-10,13H2,1H3,(H,23,28)
• InChIKey: LWGBIDYQCDMFNL-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 427.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.85
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

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]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one?

The IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one (CID 159474807) is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one.

What is the SMILES notation for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one?

The canonical SMILES for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one is CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(c3ccc(N(C)C)nc3)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(c3cnn(C)c3)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(c3cnn(C)c3C)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c[nH]c(=O)cc34)nn2C2CCOCC2)C1.CNc1ccc(N2Cc3cccc(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)c3CC2=O)cn1.

What is the InChIKey of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one?

The InChIKey is LWGBIDYQCDMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3.C28H32N6O3.C27H32N6O3.C26H30N6O3.C22H24N4O3/c1-19(36)33-12-9-26-25(18-33)29(31-35(26)21-10-13-38-14-11-21)23-6-4-5-20-17-34(28(37)15-24(20)23)22-7-8-27(30-16-22)32(2)3;1-18(35)32-11-8-25-24(17-32)28(31-34(25)20-9-12-37-13-10-20)22-5-3-4-19-16-33(27(36)14-23(19)22)21-6-7-26(29-2)30-15-21;1-17-25(14-28-30(17)3)32-15-19-5-4-6-21(22(19)13-26(32)35)27-23-16-31(18(2)34)10-7-24(23)33(29-27)20-8-11-36-12-9-20;1-17(33)30-9-6-24-23(16-30)26(28-32(24)19-7-10-35-11-8-19)21-5-3-4-18-14-31(25(34)12-22(18)21)20-13-27-29(2)15-20;1-14(27)25-8-5-20-19(13-25)22(24-26(20)16-6-9-29-10-7-16)17-4-2-3-15-12-23-21(28)11-18(15)17/h4-8,16,21H,9-15,17-18H2,1-3H3;3-7,15,20H,8-14,16-17H2,1-2H3,(H,29,30);4-6,14,20H,7-13,15-16H2,1-3H3;3-5,13,15,19H,6-12,14,16H2,1-2H3;2-4,11-12,16H,5-10,13H2,1H3,(H,23,28).

What are the key properties of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one?

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one has a molecular weight of 2370.85 g/mol, XLogP of 14.90, 16 rotatable bonds, 2 hydrogen bond donors, and 33 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]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 159474807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).