8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone

C108H116ClN25O8 — CID 158205999

About 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone

8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone (PubChem CID 158205999) has the molecular formula C108H116ClN25O8 and a molecular weight of 1927.74 g/mol. Its IUPAC name is 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone.

Molecular Properties

• Compound Name: 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone
• PubChem CID: 158205999
• Molecular Formula: C108H116ClN25O8
• Molecular Weight: 1927.74 g/mol
• Exact Mass: 1925.91
• IUPAC Name: 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cc(Cl)cc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(C#N)c(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(C)c(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnc(-c3cnn(C)c3)cc2c1
• InChI: InChI=1S/C28H32N6O2.C27H27N7O2.C27H30N6O2.C26H27ClN6O2/c1-4-19-11-20-13-26(21-14-30-32(3)16-21)29-15-24(20)23(12-19)28-25-17-33(18(2)35)8-5-27(25)34(31-28)22-6-9-36-10-7-22;1-17(35)33-9-6-25-24(16-33)27(31-34(25)19-7-10-36-11-8-19)21-5-3-4-20-22(12-28)26(29-14-23(20)21)18-13-30-32(2)15-18;1-17-21-5-4-6-22(23(21)14-28-26(17)19-13-29-31(3)15-19)27-24-16-32(18(2)34)10-7-25(24)33(30-27)20-8-11-35-12-9-20;1-16(34)32-6-3-25-23(15-32)26(30-33(25)20-4-7-35-8-5-20)21-11-19(27)9-17-10-24(28-13-22(17)21)18-12-29-31(2)14-18/h11-16,22H,4-10,17H2,1-3H3;3-5,13-15,19H,6-11,16H2,1-2H3;4-6,13-15,20H,7-12,16H2,1-3H3;9-14,20H,3-8,15H2,1-2H3
• InChIKey: GBMRXHIINBJABL-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 336.07 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1927.74
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone?

The IUPAC name of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone (CID 158205999) is 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone.

What is the SMILES notation for 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone?

The canonical SMILES for 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone is CC(=O)N1CCc2c(c(-c3cc(Cl)cc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(C#N)c(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(C)c(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CCc1cc(-c2nn(C3CCOCC3)c3c2CN(C(C)=O)CC3)c2cnc(-c3cnn(C)c3)cc2c1.

What is the InChIKey of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone?

The InChIKey is GBMRXHIINBJABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2.C27H27N7O2.C27H30N6O2.C26H27ClN6O2/c1-4-19-11-20-13-26(21-14-30-32(3)16-21)29-15-24(20)23(12-19)28-25-17-33(18(2)35)8-5-27(25)34(31-28)22-6-9-36-10-7-22;1-17(35)33-9-6-25-24(16-33)27(31-34(25)19-7-10-36-11-8-19)21-5-3-4-20-22(12-28)26(29-14-23(20)21)18-13-30-32(2)15-18;1-17-21-5-4-6-22(23(21)14-28-26(17)19-13-29-31(3)15-19)27-24-16-32(18(2)34)10-7-25(24)33(30-27)20-8-11-35-12-9-20;1-16(34)32-6-3-25-23(15-32)26(30-33(25)20-4-7-35-8-5-20)21-11-19(27)9-17-10-24(28-13-22(17)21)18-12-29-31(2)14-18/h11-16,22H,4-10,17H2,1-3H3;3-5,13-15,19H,6-11,16H2,1-2H3;4-6,13-15,20H,7-12,16H2,1-3H3;9-14,20H,3-8,15H2,1-2H3.

What are the key properties of 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone?

8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone has a molecular weight of 1927.74 g/mol, XLogP of 16.42, 13 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylpyrazol-4-yl)isoquinoline-4-carbonitrile;1-[3-[6-chloro-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-[6-ethyl-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]ethanone is sourced from PubChem (CID 158205999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).