1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone

C96H102F6N29O5S+ — CID 162154665

About 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone

1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone (PubChem CID 162154665) has the molecular formula C96H102F6N29O5S+ and a molecular weight of 1888.12 g/mol. Its IUPAC name is 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone
• PubChem CID: 162154665
• Molecular Formula: C96H102F6N29O5S+
• Molecular Weight: 1888.12 g/mol
• Exact Mass: 1886.82
• IUPAC Name: 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3cccc(-c4cn[nH]c4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CCC(F)(F)F)C1.CC(=O)[n+]1ccc2c(c1)c(Nc1cccc(-c3cncs3)c1)nn2C
• InChI: InChI=1S/C21H23F3N6O.C20H21F3N6O.C19H22N6O.C18H20N6O.C18H16N5OS/c1-14(31)29-8-6-19-18(13-29)20(27-30(19)9-7-21(22,23)24)26-17-5-3-4-15(10-17)16-11-25-28(2)12-16;1-13(30)28-7-6-18-17(11-28)19(26-29(18)12-20(21,22)23)25-16-5-3-4-14(8-16)15-9-24-27(2)10-15;1-13(26)25-8-7-18-17(12-25)19(22-24(18)3)21-16-6-4-5-14(9-16)15-10-20-23(2)11-15;1-12(25)24-7-6-17-16(11-24)18(22-23(17)2)21-15-5-3-4-13(8-15)14-9-19-20-10-14;1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,26,27);3-5,8-10H,6-7,11-12H2,1-2H3,(H,25,26);4-6,9-11H,7-8,12H2,1-3H3,(H,21,22);3-5,8-10H,6-7,11H2,1-2H3,(H,19,20)(H,21,22);3-11H,1-2H3,(H,20,21)/q;;;;+1
• InChIKey: IUAPIPVQZCIRLA-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 346.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1888.12
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_het_A(9)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone?

The IUPAC name of 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone (CID 162154665) is 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone.

What is the SMILES notation for 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone?

The canonical SMILES for 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cccc(-c4cn[nH]c4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3)nn2CCC(F)(F)F)C1.CC(=O)[n+]1ccc2c(c1)c(Nc1cccc(-c3cncs3)c1)nn2C.

What is the InChIKey of 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone?

The InChIKey is IUAPIPVQZCIRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O.C20H21F3N6O.C19H22N6O.C18H20N6O.C18H16N5OS/c1-14(31)29-8-6-19-18(13-29)20(27-30(19)9-7-21(22,23)24)26-17-5-3-4-15(10-17)16-11-25-28(2)12-16;1-13(30)28-7-6-18-17(11-28)19(26-29(18)12-20(21,22)23)25-16-5-3-4-14(8-16)15-9-24-27(2)10-15;1-13(26)25-8-7-18-17(12-25)19(22-24(18)3)21-16-6-4-5-14(9-16)15-10-20-23(2)11-15;1-12(25)24-7-6-17-16(11-24)18(22-23(17)2)21-15-5-3-4-13(8-15)14-9-19-20-10-14;1-12(24)23-7-6-16-15(10-23)18(21-22(16)2)20-14-5-3-4-13(8-14)17-9-19-11-25-17/h3-5,10-12H,6-9,13H2,1-2H3,(H,26,27);3-5,8-10H,6-7,11-12H2,1-2H3,(H,25,26);4-6,9-11H,7-8,12H2,1-3H3,(H,21,22);3-5,8-10H,6-7,11H2,1-2H3,(H,19,20)(H,21,22);3-11H,1-2H3,(H,20,21)/q;;;;+1.

What are the key properties of 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone?

1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone has a molecular weight of 1888.12 g/mol, XLogP of 15.69, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]pyrazolo[4,3-c]pyridin-5-ium-5-yl]ethanone is sourced from PubChem (CID 162154665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).