1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole

C108H126F2N28O7S3 — CID 157439301

About 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole (PubChem CID 157439301) has the molecular formula C108H126F2N28O7S3 and a molecular weight of 2062.58 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-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole.

Molecular Properties

• Compound Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole
• PubChem CID: 157439301
• Molecular Formula: C108H126F2N28O7S3
• Molecular Weight: 2062.58 g/mol
• Exact Mass: 2060.95
• IUPAC Name: 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C)s5)c(C#N)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C)s5)c(C(F)F)cc43)nn2C2CCOCC2)C1.Cc1nnc(N2CCc3c(c(N4CCCc5cc(-c6cnn(C)c6)ccc54)nn3C3CCOCC3)C2)o1.Cc1nnc(N2CCc3c(c(N4CCCc5cc(-c6cnn(C)c6)ccc54)nn3C3CCOCC3)C2)s1
• InChI: InChI=1S/C27H32F2N6O2S.C27H32N8O2.C27H32N8OS.C27H30N6O2S/c1-16-31-14-24(38-16)19-12-17-4-3-8-34(23(17)13-20(19)25(28)29)26-21-15-33(27(36)30-2)9-5-22(21)35(32-26)18-6-10-37-11-7-18;2*1-18-29-30-27(37-18)33-11-7-25-23(17-33)26(31-35(25)22-8-12-36-13-9-22)34-10-3-4-20-14-19(5-6-24(20)34)21-15-28-32(2)16-21;1-17-29-15-26(36-17)22-12-19-4-3-8-32(25(19)13-20(22)14-28)27-23-16-31(18(2)34)9-5-24(23)33(30-27)21-6-10-35-11-7-21/h12-14,18,25H,3-11,15H2,1-2H3,(H,30,36);2*5-6,14-16,22H,3-4,7-13,17H2,1-2H3;12-13,15,21H,3-11,16H2,1-2H3
• InChIKey: BRMAPBCGHSBXIG-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 330.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 15
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.58
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

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-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole?

The IUPAC name of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole (CID 157439301) is 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole.

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-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole?

The canonical SMILES for 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C)s5)c(C#N)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnc(C)s5)c(C(F)F)cc43)nn2C2CCOCC2)C1.Cc1nnc(N2CCc3c(c(N4CCCc5cc(-c6cnn(C)c6)ccc54)nn3C3CCOCC3)C2)o1.Cc1nnc(N2CCc3c(c(N4CCCc5cc(-c6cnn(C)c6)ccc54)nn3C3CCOCC3)C2)s1.

What is the InChIKey of 1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole?

The InChIKey is BRMAPBCGHSBXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6O2S.C27H32N8O2.C27H32N8OS.C27H30N6O2S/c1-16-31-14-24(38-16)19-12-17-4-3-8-34(23(17)13-20(19)25(28)29)26-21-15-33(27(36)30-2)9-5-22(21)35(32-26)18-6-10-37-11-7-18;2*1-18-29-30-27(37-18)33-11-7-25-23(17-33)26(31-35(25)22-8-12-36-13-9-22)34-10-3-4-20-14-19(5-6-24(20)34)21-15-28-32(2)16-21;1-17-29-15-26(36-17)22-12-19-4-3-8-32(25(19)13-20(22)14-28)27-23-16-31(18(2)34)9-5-24(23)33(30-27)21-6-10-35-11-7-21/h12-14,18,25H,3-11,15H2,1-2H3,(H,30,36);2*5-6,14-16,22H,3-4,7-13,17H2,1-2H3;12-13,15,21H,3-11,16H2,1-2H3.

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-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole?

1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole has a molecular weight of 2062.58 g/mol, XLogP of 18.33, 15 rotatable bonds, 1 hydrogen bond donors, and 35 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-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;3-[7-(difluoromethyl)-6-(2-methyl-1,3-thiazol-5-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;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-oxadiazole;2-methyl-5-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 157439301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).