4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C93H101F3N24O9 — CID 159622261

About 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159622261) has the molecular formula C93H101F3N24O9 and a molecular weight of 1755.98 g/mol. Its IUPAC name is 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 159622261
• Molecular Formula: C93H101F3N24O9
• Molecular Weight: 1755.98 g/mol
• Exact Mass: 1754.81
• IUPAC Name: 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCOc4ccccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cn(C)nc5C#N)ccc43)nn2[C@@H]2CCOC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cn(C)nc5C#N)ccc43)nn2[C@H]2CCOC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cn(C)nc5C(F)(F)F)ccc43)nn2C2COC2)C1
• InChI: InChI=1S/2C25H27N7O2.C24H25F3N6O2.C19H22N4O3/c2*1-16(33)30-8-6-24-21(14-30)25(28-32(24)19-7-10-34-15-19)31-9-5-18-11-17(3-4-23(18)31)20-13-29(2)27-22(20)12-26;1-14(34)31-7-6-21-19(11-31)23(29-33(21)17-12-35-13-17)32-8-5-16-9-15(3-4-20(16)32)18-10-30(2)28-22(18)24(25,26)27;1-13(24)21-7-6-16-15(10-21)19(20-23(16)14-11-25-12-14)22-8-9-26-18-5-3-2-4-17(18)22/h2*3-4,11,13,19H,5-10,14-15H2,1-2H3;3-4,9-10,17H,5-8,11-13H2,1-2H3;2-5,14H,6-12H2,1H3/t2*19-;;/m10../s1
• InChIKey: MOARUFNWTJJJNN-DZXWATMVSA-N
• XLogP: 10.79
• TPSA: 312.67 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.98
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159622261) is 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCOc4ccccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cn(C)nc5C#N)ccc43)nn2[C@@H]2CCOC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cn(C)nc5C#N)ccc43)nn2[C@H]2CCOC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cn(C)nc5C(F)(F)F)ccc43)nn2C2COC2)C1.

What is the InChIKey of 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is MOARUFNWTJJJNN-DZXWATMVSA-N. The full InChI is InChI=1S/2C25H27N7O2.C24H25F3N6O2.C19H22N4O3/c2*1-16(33)30-8-6-24-21(14-30)25(28-32(24)19-7-10-34-15-19)31-9-5-18-11-17(3-4-23(18)31)20-13-29(2)27-22(20)12-26;1-14(34)31-7-6-21-19(11-31)23(29-33(21)17-12-35-13-17)32-8-5-16-9-15(3-4-20(16)32)18-10-30(2)28-22(18)24(25,26)27;1-13(24)21-7-6-16-15(10-21)19(20-23(16)14-11-25-12-14)22-8-9-26-18-5-3-2-4-17(18)22/h2*3-4,11,13,19H,5-10,14-15H2,1-2H3;3-4,9-10,17H,5-8,11-13H2,1-2H3;2-5,14H,6-12H2,1H3/t2*19-;;/m10../s1.

What are the key properties of 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1755.98 g/mol, XLogP of 10.79, 11 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;4-[1-[5-acetyl-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,3-dihydroindol-5-yl]-1-methylpyrazole-3-carbonitrile;1-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2,3-dihydroindol-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159622261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).