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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C100H110F4N26O8 — CID 159457578

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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159457578) has the molecular formula C100H110F4N26O8 and a molecular weight of 1880.15 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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 159457578
• Molecular Formula: C100H110F4N26O8
• Molecular Weight: 1880.15 g/mol
• Exact Mass: 1878.89
• 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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cn(C)nc5C(F)(F)F)ccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(F)cc43)nn2C2CCOC2)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
• InChI: InChI=1S/C25H27F3N6O2.C25H29FN6O2.2C25H27N7O2/c1-15(35)32-9-7-22-20(12-32)24(30-34(22)18-13-36-14-18)33-8-3-4-17-10-16(5-6-21(17)33)19-11-31(2)29-23(19)25(26,27)28;1-16(33)30-8-5-23-21(14-30)25(28-32(23)19-6-9-34-15-19)31-7-3-4-17-10-20(22(26)11-24(17)31)18-12-27-29(2)13-18;2*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/h5-6,10-11,18H,3-4,7-9,12-14H2,1-2H3;10-13,19H,3-9,14-15H2,1-2H3;2*3-4,11,13,19H,5-10,14-15H2,1-2H3/t;;2*19-/m..10/s1
• InChIKey: LUEGRQZKPJYUMZ-JKICFVPCSA-N
• XLogP: 12.67
• TPSA: 321.26 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1880.15
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159457578) 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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cn(C)nc5C(F)(F)F)ccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(F)cc43)nn2C2CCOC2)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.

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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is LUEGRQZKPJYUMZ-JKICFVPCSA-N. The full InChI is InChI=1S/C25H27F3N6O2.C25H29FN6O2.2C25H27N7O2/c1-15(35)32-9-7-22-20(12-32)24(30-34(22)18-13-36-14-18)33-8-3-4-17-10-16(5-6-21(17)33)19-11-31(2)29-23(19)25(26,27)28;1-16(33)30-8-5-23-21(14-30)25(28-32(23)19-6-9-34-15-19)31-7-3-4-17-10-20(22(26)11-24(17)31)18-12-27-29(2)13-18;2*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/h5-6,10-11,18H,3-4,7-9,12-14H2,1-2H3;10-13,19H,3-9,14-15H2,1-2H3;2*3-4,11,13,19H,5-10,14-15H2,1-2H3/t;;2*19-/m..10/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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1880.15 g/mol, XLogP of 12.67, 12 rotatable bonds, 0 hydrogen bond donors, and 30 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-[7-fluoro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159457578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).