1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one

C110H124N22O9 — CID 162215146

About 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one

1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 162215146) has the molecular formula C110H124N22O9 and a molecular weight of 1898.35 g/mol. Its IUPAC name is 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

• Compound Name: 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one
• PubChem CID: 162215146
• Molecular Formula: C110H124N22O9
• Molecular Weight: 1898.35 g/mol
• Exact Mass: 1896.99
• IUPAC Name: 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)nc(C)c34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4c(C)c(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)C(c3cnn(C)c3)C4)nn2C2CCOCC2)C1
• InChI: InChI=1S/C28H32N6O2.C28H33N5O3.C27H30N6O2.C27H29N5O2/c1-4-26(35)33-11-8-25-24(17-33)28(31-34(25)20-9-12-36-13-10-20)22-7-5-6-21-18(2)27(29-15-23(21)22)19-14-30-32(3)16-19;1-3-27(35)32-10-7-25-24(17-32)28(30-33(25)20-8-11-36-12-9-20)21-6-4-5-18-13-23(26(34)14-22(18)21)19-15-29-31(2)16-19;1-17-26-19(13-24(29-17)20-14-28-31(3)15-20)5-4-6-22(26)27-23-16-32(18(2)34)10-7-25(23)33(30-27)21-8-11-35-12-9-21;1-18(33)31-11-8-26-25(17-31)27(29-32(26)22-9-12-34-13-10-22)24-5-3-4-20-14-19(6-7-23(20)24)21-15-28-30(2)16-21/h5-7,14-16,20H,4,8-13,17H2,1-3H3;4-6,15-16,20,23H,3,7-14,17H2,1-2H3;4-6,13-15,21H,7-12,16H2,1-3H3;3-7,14-16,22H,8-13,17H2,1-2H3
• InChIKey: ZTJAILFCXYUNBU-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 303.57 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.35
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one?

The IUPAC name of 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one (CID 162215146) is 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one.

What is the SMILES notation for 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one?

The canonical SMILES for 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one is CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)ccc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5)nc(C)c34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4c(C)c(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)C(c3cnn(C)c3)C4)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one?

The InChIKey is ZTJAILFCXYUNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C28H33N5O3.C27H30N6O2.C27H29N5O2/c1-4-26(35)33-11-8-25-24(17-33)28(31-34(25)20-9-12-36-13-10-20)22-7-5-6-21-18(2)27(29-15-23(21)22)19-14-30-32(3)16-19;1-3-27(35)32-10-7-25-24(17-32)28(30-33(25)20-8-11-36-12-9-20)21-6-4-5-18-13-23(26(34)14-22(18)21)19-15-29-31(2)16-19;1-17-26-19(13-24(29-17)20-14-28-31(3)15-20)5-4-6-22(26)27-23-16-32(18(2)34)10-7-25(23)33(30-27)21-8-11-35-12-9-21;1-18(33)31-11-8-26-25(17-31)27(29-32(26)22-9-12-34-13-10-22)24-5-3-4-20-14-19(6-7-23(20)24)21-15-28-30(2)16-21/h5-7,14-16,20H,4,8-13,17H2,1-3H3;4-6,15-16,20,23H,3,7-14,17H2,1-2H3;4-6,13-15,21H,7-12,16H2,1-3H3;3-7,14-16,22H,8-13,17H2,1-2H3.

What are the key properties of 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one?

1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 1898.35 g/mol, XLogP of 16.26, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[6-(1-methylpyrazol-4-yl)naphthalen-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(1-methylpyrazol-4-yl)-8-[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 162215146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).