1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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

C115H135N25O9 — CID 159929918

About 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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 159929918) has the molecular formula C115H135N25O9 and a molecular weight of 2011.51 g/mol. Its IUPAC name is 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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: 159929918
• Molecular Formula: C115H135N25O9
• Molecular Weight: 2011.51 g/mol
• Exact Mass: 2010.09
• IUPAC Name: 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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)N1CCC(n2nc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c3c2CCN(C(C)=O)C3)CC1.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
• InChI: InChI=1S/C31H34N6O2.C28H33N7O2.C28H35N7O2.C28H33N5O3/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;1-19(36)32-12-8-24(9-13-32)35-27-10-14-33(20(2)37)18-25(27)28(30-35)34-11-4-5-22-15-21(6-7-26(22)34)23-16-29-31(3)17-23;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/h3-9,14,16-17,25,27H,10-13,15,18-20H2,1-2H3;13-14,16,22H,4-12,17H2,1-3H3;6-7,15-17,24H,4-5,8-14,18H2,1-3H3;6-9,15-16,23H,3-5,10-14,17-18H2,1-2H3/t25-,27+;;;23-/m1..0/s1
• InChIKey: NZMVEOPFDKACTQ-IQSYUYGUSA-N
• XLogP: 16.18
• TPSA: 312.85 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2011.51
LogP ≤ 5	16.18
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 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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 159929918) is 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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)N1CCC(n2nc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c3c2CCN(C(C)=O)C3)CC1.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.

What is the InChIKey of 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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 NZMVEOPFDKACTQ-IQSYUYGUSA-N. The full InChI is InChI=1S/C31H34N6O2.C28H33N7O2.C28H35N7O2.C28H33N5O3/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;1-19(36)32-12-8-24(9-13-32)35-27-10-14-33(20(2)37)18-25(27)28(30-35)34-11-4-5-22-15-21(6-7-26(22)34)23-16-29-31(3)17-23;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/h3-9,14,16-17,25,27H,10-13,15,18-20H2,1-2H3;13-14,16,22H,4-12,17H2,1-3H3;6-7,15-17,24H,4-5,8-14,18H2,1-3H3;6-9,15-16,23H,3-5,10-14,17-18H2,1-2H3/t25-,27+;;;23-/m1..0/s1.

What are the key properties of 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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 2011.51 g/mol, XLogP of 16.18, 15 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[5-acetyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-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;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 159929918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).