1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C114H135N25O9 — CID 158861392

About 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158861392) has the molecular formula C114H135N25O9 and a molecular weight of 1999.50 g/mol. Its IUPAC name is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158861392
• Molecular Formula: C114H135N25O9
• Molecular Weight: 1999.50 g/mol
• Exact Mass: 1998.09
• IUPAC Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5C)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3C[C@H](c4ccccc4)Cc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.CCOc1ccc(-c2ccc3c(c2)CCCN3c2nn([C@H]3CCOC3)c3c2CN(C(C)=O)CC3)cn1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5C)ccc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C31H34N6O2.C28H33N7O2.C28H33N5O3.C27H35N7O2/c1-21(38)35-12-10-30-28(19-35)31(33-37(30)27-11-13-39-20-27)36-18-25(22-6-4-3-5-7-22)15-24-14-23(8-9-29(24)36)26-16-32-34(2)17-26;1-18-24(16-30-32(18)3)23-13-20-5-4-9-34(27(20)14-21(23)15-29)28-25-17-33(19(2)36)10-6-26(25)35(31-28)22-7-11-37-12-8-22;1-3-36-27-9-7-22(16-29-27)20-6-8-25-21(15-20)5-4-12-32(25)28-24-17-31(19(2)34)13-10-26(24)33(30-28)23-11-14-35-18-23;1-18-22(16-29-31(18)3)19-6-7-24-20(15-19)5-4-11-33(24)26-23-17-32(27(35)28-2)12-8-25(23)34(30-26)21-9-13-36-14-10-21/h3-9,14,16-17,25,27H,10-13,15,18-20H2,1-2H3;13-14,16,22H,4-12,17H2,1-3H3;6-9,15-16,23H,3-5,10-14,17-18H2,1-2H3;6-7,15-16,21H,4-5,8-14,17H2,1-3H3,(H,28,35)/t25-,27+;;23-;/m1.0./s1
• InChIKey: JARWNYBSIXRKII-QBURGSKUSA-N
• XLogP: 16.45
• TPSA: 313.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1999.50
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	1
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 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158861392) is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5C)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3C[C@H](c4ccccc4)Cc4cc(-c5cnn(C)c5)ccc43)nn2[C@H]2CCOC2)C1.CCOc1ccc(-c2ccc3c(c2)CCCN3c2nn([C@H]3CCOC3)c3c2CN(C(C)=O)CC3)cn1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5C)ccc43)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is JARWNYBSIXRKII-QBURGSKUSA-N. The full InChI is InChI=1S/C31H34N6O2.C28H33N7O2.C28H33N5O3.C27H35N7O2/c1-21(38)35-12-10-30-28(19-35)31(33-37(30)27-11-13-39-20-27)36-18-25(22-6-4-3-5-7-22)15-24-14-23(8-9-29(24)36)26-16-32-34(2)17-26;1-18-24(16-30-32(18)3)23-13-20-5-4-9-34(27(20)14-21(23)15-29)28-25-17-33(19(2)36)10-6-26(25)35(31-28)22-7-11-37-12-8-22;1-3-36-27-9-7-22(16-29-27)20-6-8-25-21(15-20)5-4-12-32(25)28-24-17-31(19(2)34)13-10-26(24)33(30-28)23-11-14-35-18-23;1-18-22(16-29-31(18)3)19-6-7-24-20(15-19)5-4-11-33(24)26-23-17-32(27(35)28-2)12-8-25(23)34(30-26)21-9-13-36-14-10-21/h3-9,14,16-17,25,27H,10-13,15,18-20H2,1-2H3;13-14,16,22H,4-12,17H2,1-3H3;6-9,15-16,23H,3-5,10-14,17-18H2,1-2H3;6-7,15-16,21H,4-5,8-14,17H2,1-3H3,(H,28,35)/t25-,27+;;23-;/m1.0./s1.

What are the key properties of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1999.50 g/mol, XLogP of 16.45, 15 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[6-(6-ethoxy-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[(3S)-6-(1-methylpyrazol-4-yl)-3-phenyl-3,4-dihydro-2H-quinolin-1-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158861392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).