1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C50H60N12O4 — CID 160569517

About 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 160569517) has the molecular formula C50H60N12O4 and a molecular weight of 893.11 g/mol. Its IUPAC name is 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 160569517
• Molecular Formula: C50H60N12O4
• Molecular Weight: 893.11 g/mol
• Exact Mass: 892.49
• IUPAC Name: 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)ccc43)nn2[C@@H]2CCOC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)ccc43)nn2[C@H]2CCOC2)C1
• InChI: InChI=1S/2C25H30N6O2/c2*1-16-21(13-26-28(16)3)18-4-5-23-19(12-18)6-10-30(23)25-22-14-29(17(2)32)9-7-24(22)31(27-25)20-8-11-33-15-20/h2*4-5,12-13,20H,6-11,14-15H2,1-3H3/t2*20-/m10/s1
• InChIKey: RAJBSFVKQDXCDF-ZCLATKBISA-N
• XLogP: 6.30
• TPSA: 136.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	893.11
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 160569517) is 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)ccc43)nn2[C@@H]2CCOC2)C1.CC(=O)N1CCc2c(c(N3CCc4cc(-c5cnn(C)c5C)ccc43)nn2[C@H]2CCOC2)C1.

What is the InChIKey of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is RAJBSFVKQDXCDF-ZCLATKBISA-N. The full InChI is InChI=1S/2C25H30N6O2/c2*1-16-21(13-26-28(16)3)18-4-5-23-19(12-18)6-10-30(23)25-22-14-29(17(2)32)9-7-24(22)31(27-25)20-8-11-33-15-20/h2*4-5,12-13,20H,6-11,14-15H2,1-3H3/t2*20-/m10/s1.

What are the key properties of 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 893.11 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 160569517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).