5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C106H123F2N27O11 — CID 159120688

About 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159120688) has the molecular formula C106H123F2N27O11 and a molecular weight of 1989.32 g/mol. Its IUPAC name is 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159120688
• Molecular Formula: C106H123F2N27O11
• Molecular Weight: 1989.32 g/mol
• Exact Mass: 1987.99
• IUPAC Name: 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccnc5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCOc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCOc4cc(-c5cnn(C)c5)ncc43)nn2C2CCOCC2)C1.CNC(=O)c1ccc(-c2cc3c(cn2)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1
• InChI: InChI=1S/C28H33N7O3.C28H30N6O2.C26H30F2N6O3.C24H30N8O3/c1-18(36)33-11-7-25-22(17-33)27(32-35(25)21-8-12-38-13-9-21)34-10-3-4-19-14-24(31-16-26(19)34)20-5-6-23(30-15-20)28(37)29-2;1-19(35)32-11-6-26-25(18-32)28(31-34(26)23-7-12-36-13-8-23)33-10-3-5-20-14-24(21-4-2-9-30-17-21)22(16-29)15-27(20)33;1-16(35)32-6-3-22-21(15-32)26(30-34(22)18-4-8-36-9-5-18)33-7-10-37-24-12-19(17-13-29-31(2)14-17)20(25(27)28)11-23(24)33;1-25-24(33)30-6-3-20-18(15-30)23(28-32(20)17-4-8-34-9-5-17)31-7-10-35-22-11-19(26-13-21(22)31)16-12-27-29(2)14-16/h5-6,14-16,21H,3-4,7-13,17H2,1-2H3,(H,29,37);2,4,9,14-15,17,23H,3,5-8,10-13,18H2,1H3;11-14,18,25H,3-10,15H2,1-2H3;11-14,17H,3-10,15H2,1-2H3,(H,25,33)
• InChIKey: KFQSUKNDGIZVMH-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 372.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1989.32
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

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-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 159120688) is 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccnc5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCOc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCOc4cc(-c5cnn(C)c5)ncc43)nn2C2CCOCC2)C1.CNC(=O)c1ccc(-c2cc3c(cn2)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.

What is the InChIKey of 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is KFQSUKNDGIZVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O3.C28H30N6O2.C26H30F2N6O3.C24H30N8O3/c1-18(36)33-11-7-25-22(17-33)27(32-35(25)21-8-12-38-13-9-21)34-10-3-4-19-14-24(31-16-26(19)34)20-5-6-23(30-15-20)28(37)29-2;1-19(35)32-11-6-26-25(18-32)28(31-34(26)23-7-12-36-13-8-23)33-10-3-5-20-14-24(21-4-2-9-30-17-21)22(16-29)15-27(20)33;1-16(35)32-6-3-22-21(15-32)26(30-34(22)18-4-8-36-9-5-18)33-7-10-37-24-12-19(17-13-29-31(2)14-17)20(25(27)28)11-23(24)33;1-25-24(33)30-6-3-20-18(15-30)23(28-32(20)17-4-8-34-9-5-17)31-7-10-35-22-11-19(26-13-21(22)31)16-12-27-29(2)14-16/h5-6,14-16,21H,3-4,7-13,17H2,1-2H3,(H,29,37);2,4,9,14-15,17,23H,3,5-8,10-13,18H2,1H3;11-14,18,25H,3-10,15H2,1-2H3;11-14,17H,3-10,15H2,1-2H3,(H,25,33).

What are the key properties of 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1989.32 g/mol, XLogP of 13.46, 14 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;N-methyl-3-[7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159120688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).