1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C108H132FN21O8 — CID 158444616

About 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158444616) has the molecular formula C108H132FN21O8 and a molecular weight of 1871.38 g/mol. Its IUPAC name is 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158444616
• Molecular Formula: C108H132FN21O8
• Molecular Weight: 1871.38 g/mol
• Exact Mass: 1870.06
• IUPAC Name: 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-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(-c3cccc4cc(N5CCC(F)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC[C@@H]5C)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC[C@H]5C)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@H](N(C)C)C5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/C28H36N6O2.2C27H33N5O2.C26H30FN5O2/c1-19(35)32-12-8-26-25(18-32)28(30-34(26)21-9-13-36-14-10-21)23-6-4-5-20-15-27(29-16-24(20)23)33-11-7-22(17-33)31(2)3;2*1-18-5-4-11-31(18)26-15-20-6-3-7-22(23(20)16-28-26)27-24-17-30(19(2)33)12-8-25(24)32(29-27)21-9-13-34-14-10-21;1-17(33)30-10-6-24-23(16-30)26(29-32(24)20-7-11-34-12-8-20)21-4-2-3-18-13-25(28-14-22(18)21)31-9-5-19(27)15-31/h4-6,15-16,21-22H,7-14,17-18H2,1-3H3;2*3,6-7,15-16,18,21H,4-5,8-14,17H2,1-2H3;2-4,13-14,19-20H,5-12,15-16H2,1H3/t22-;2*18-;/m010./s1
• InChIKey: HDFVEHCGHRHINY-NSUHOJGISA-N
• XLogP: 16.08
• TPSA: 257.20 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1871.38
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158444616) is 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-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 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-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(-c3cccc4cc(N5CCC(F)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC[C@@H]5C)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC[C@H]5C)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC[C@H](N(C)C)C5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is HDFVEHCGHRHINY-NSUHOJGISA-N. The full InChI is InChI=1S/C28H36N6O2.2C27H33N5O2.C26H30FN5O2/c1-19(35)32-12-8-26-25(18-32)28(30-34(26)21-9-13-36-14-10-21)23-6-4-5-20-15-27(29-16-24(20)23)33-11-7-22(17-33)31(2)3;2*1-18-5-4-11-31(18)26-15-20-6-3-7-22(23(20)16-28-26)27-24-17-30(19(2)33)12-8-25(24)32(29-27)21-9-13-34-14-10-21;1-17(33)30-10-6-24-23(16-30)26(29-32(24)20-7-11-34-12-8-20)21-4-2-3-18-13-25(28-14-22(18)21)31-9-5-19(27)15-31/h4-6,15-16,21-22H,7-14,17-18H2,1-3H3;2*3,6-7,15-16,18,21H,4-5,8-14,17H2,1-2H3;2-4,13-14,19-20H,5-12,15-16H2,1H3/t22-;2*18-;/m010./s1.

What are the key properties of 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-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 1871.38 g/mol, XLogP of 16.08, 13 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3-fluoropyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2R)-2-methylpyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-[(2S)-2-methylpyrrolidin-1-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 158444616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).