5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C104H116N22O10 — CID 157068119

About 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 157068119) has the molecular formula C104H116N22O10 and a molecular weight of 1834.22 g/mol. Its IUPAC name is 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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: 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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: 157068119
• Molecular Formula: C104H116N22O10
• Molecular Weight: 1834.22 g/mol
• Exact Mass: 1832.92
• IUPAC Name: 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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(-c5ccc(=O)n(C)c5)ccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccnc5C)ccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2[C@H]2CCOC2)C1.COc1cc(-c2ccc3c(c2)CCCN3c2nn(C3COC3)c3c2CN(C(C)=O)CC3)ccn1
• InChI: InChI=1S/C26H29N7O2.2C26H29N5O3.C26H29N5O2/c1-17(34)31-8-5-24-23(15-31)26(29-33(24)21-6-9-35-16-21)32-7-3-4-18-10-22(19(12-27)11-25(18)32)20-13-28-30(2)14-20;1-17(32)29-11-9-24-22(14-29)26(27-31(24)21-15-34-16-21)30-10-3-4-19-12-18(5-7-23(19)30)20-6-8-25(33)28(2)13-20;1-17(32)29-11-8-24-22(14-29)26(28-31(24)21-15-34-16-21)30-10-3-4-20-12-18(5-6-23(20)30)19-7-9-27-25(13-19)33-2;1-17-22(6-3-10-27-17)19-7-8-24-20(13-19)5-4-11-30(24)26-23-14-29(18(2)32)12-9-25(23)31(28-26)21-15-33-16-21/h10-11,13-14,21H,3-9,15-16H2,1-2H3;5-8,12-13,21H,3-4,9-11,14-16H2,1-2H3;5-7,9,12-13,21H,3-4,8,10-11,14-16H2,1-2H3;3,6-8,10,13,21H,4-5,9,11-12,14-16H2,1-2H3/t21-;;;/m0.../s1
• InChIKey: ACCOSUNUNJNDKI-YDULTXHLSA-N
• XLogP: 13.24
• TPSA: 301.02 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1834.22
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 157068119) is 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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(-c5ccc(=O)n(C)c5)ccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccnc5C)ccc43)nn2C2COC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C#N)cc43)nn2[C@H]2CCOC2)C1.COc1cc(-c2ccc3c(c2)CCCN3c2nn(C3COC3)c3c2CN(C(C)=O)CC3)ccn1.

What is the InChIKey of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 ACCOSUNUNJNDKI-YDULTXHLSA-N. The full InChI is InChI=1S/C26H29N7O2.2C26H29N5O3.C26H29N5O2/c1-17(34)31-8-5-24-23(15-31)26(29-33(24)21-6-9-35-16-21)32-7-3-4-18-10-22(19(12-27)11-25(18)32)20-13-28-30(2)14-20;1-17(32)29-11-9-24-22(14-29)26(27-31(24)21-15-34-16-21)30-10-3-4-19-12-18(5-7-23(19)30)20-6-8-25(33)28(2)13-20;1-17(32)29-11-8-24-22(14-29)26(28-31(24)21-15-34-16-21)30-10-3-4-20-12-18(5-6-23(20)30)19-7-9-27-25(13-19)33-2;1-17-22(6-3-10-27-17)19-7-8-24-20(13-19)5-4-11-30(24)26-23-14-29(18(2)32)12-9-25(23)31(28-26)21-15-33-16-21/h10-11,13-14,21H,3-9,15-16H2,1-2H3;5-8,12-13,21H,3-4,9-11,14-16H2,1-2H3;5-7,9,12-13,21H,3-4,8,10-11,14-16H2,1-2H3;3,6-8,10,13,21H,4-5,9,11-12,14-16H2,1-2H3/t21-;;;/m0.../s1.

What are the key properties of 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 1834.22 g/mol, XLogP of 13.24, 13 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinolin-6-yl]-1-methylpyridin-2-one;1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(2-methyl-3-pyridinyl)-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 157068119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).