4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

C107H113F2N21O9S — CID 163771471

About 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one

4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (PubChem CID 163771471) has the molecular formula C107H113F2N21O9S and a molecular weight of 1907.28 g/mol. Its IUPAC name is 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• PubChem CID: 163771471
• Molecular Formula: C107H113F2N21O9S
• Molecular Weight: 1907.28 g/mol
• Exact Mass: 1905.87
• IUPAC Name: 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cn(C)nc5C(F)F)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C#N)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C27H28F2N6O2.C27H27N7O2.C27H29N5O2S.C26H29N3O3/c1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29;1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-34-12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-2-25(30)28-14-11-24-23(18-28)26(27-29(24)20-12-15-31-16-13-20)19-7-6-10-22(17-19)32-21-8-4-3-5-9-21/h3-5,12-14,18,27H,6-11,15H2,1-2H3;3-5,12,14-15,19H,6-11,16H2,1-2H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;3-10,17,20H,2,11-16,18H2,1H3
• InChIKey: MGVIFTOJJLFICR-UHFFFAOYSA-N
• XLogP: 18.48
• TPSA: 309.66 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.28
LogP ≤ 5	18.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The IUPAC name of 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one (CID 163771471) is 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one.

What is the SMILES notation for 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The canonical SMILES for 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cn(C)nc5C(F)F)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnn(C)c5C#N)ncc34)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc(Oc4ccccc4)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(-c3cccc4cc(-c5cnc(C)s5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

The InChIKey is MGVIFTOJJLFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2.C27H27N7O2.C27H29N5O2S.C26H29N3O3/c1-16(36)34-9-6-24-22(15-34)25(32-35(24)18-7-10-37-11-8-18)19-5-3-4-17-12-23(30-13-20(17)19)21-14-33(2)31-26(21)27(28)29;1-17(35)33-9-6-25-23(16-33)27(31-34(25)19-7-10-36-11-8-19)20-5-3-4-18-12-24(29-14-21(18)20)22-15-30-32(2)26(22)13-28;1-3-26(33)31-10-7-24-22(16-31)27(30-32(24)19-8-11-34-12-9-19)20-6-4-5-18-13-23(29-14-21(18)20)25-15-28-17(2)35-25;1-2-25(30)28-14-11-24-23(18-28)26(27-29(24)20-12-15-31-16-13-20)19-7-6-10-22(17-19)32-21-8-4-3-5-9-21/h3-5,12-14,18,27H,6-11,15H2,1-2H3;3-5,12,14-15,19H,6-11,16H2,1-2H3;4-6,13-15,19H,3,7-12,16H2,1-2H3;3-10,17,20H,2,11-16,18H2,1H3.

What are the key properties of 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one?

4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one has a molecular weight of 1907.28 g/mol, XLogP of 18.48, 16 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-1-methylpyrazole-5-carbonitrile;1-[3-[3-[3-(difluoromethyl)-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-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[1-(oxan-4-yl)-3-(3-phenoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one is sourced from PubChem (CID 163771471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).