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

C121H138F3N33O7S — CID 158082968

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

1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158082968) has the molecular formula C121H138F3N33O7S and a molecular weight of 2255.72 g/mol. Its IUPAC name is 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158082968
• Molecular Formula: C121H138F3N33O7S
• Molecular Weight: 2255.72 g/mol
• Exact Mass: 2254.11
• IUPAC Name: 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)(C)O)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccnn4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cncs4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(CC(F)(F)F)c4)cc3)nn2C)C1
• InChI: InChI=1S/C24H28N4O2.C20H21F3N6O.2C20H24N6O.C19H22N6O.C18H19N5OS/c1-16(29)28-13-12-22-21(15-28)23(26-27(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(2,3)30;1-13(30)28-8-7-18-17(11-28)19(26-27(18)2)25-16-5-3-14(4-6-16)15-9-24-29(10-15)12-20(21,22)23;1-13-17(11-24(3)22-13)15-5-7-16(8-6-15)21-20-18-12-26(14(2)27)10-9-19(18)25(4)23-20;1-13-17(11-21-24(13)3)15-5-7-16(8-6-15)22-20-18-12-26(14(2)27)10-9-19(18)25(4)23-20;1-13(26)25-11-9-18-16(12-25)19(22-24(18)3)21-15-6-4-14(5-7-15)17-8-10-20-23(17)2;1-12(24)23-8-7-16-15(10-23)18(21-22(16)2)20-14-5-3-13(4-6-14)17-9-19-11-25-17/h5-11,14,30H,12-13,15H2,1-4H3,(H,25,26);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);5-8,11H,9-10,12H2,1-4H3,(H,21,23);5-8,11H,9-10,12H2,1-4H3,(H,22,23);4-8,10H,9,11-12H2,1-3H3,(H,21,22);3-6,9,11H,7-8,10H2,1-2H3,(H,20,21)
• InChIKey: FNEFQKRRNUIMLK-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 405.36 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.72
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158082968) is 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

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

The canonical SMILES for 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(C(C)(C)O)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4ccnn4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cn(C)nc4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cncs4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(CC(F)(F)F)c4)cc3)nn2C)C1.

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

The InChIKey is FNEFQKRRNUIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C20H21F3N6O.2C20H24N6O.C19H22N6O.C18H19N5OS/c1-16(29)28-13-12-22-21(15-28)23(26-27(22)4)25-20-10-8-17(9-11-20)18-6-5-7-19(14-18)24(2,3)30;1-13(30)28-8-7-18-17(11-28)19(26-27(18)2)25-16-5-3-14(4-6-16)15-9-24-29(10-15)12-20(21,22)23;1-13-17(11-24(3)22-13)15-5-7-16(8-6-15)21-20-18-12-26(14(2)27)10-9-19(18)25(4)23-20;1-13-17(11-21-24(13)3)15-5-7-16(8-6-15)22-20-18-12-26(14(2)27)10-9-19(18)25(4)23-20;1-13(26)25-11-9-18-16(12-25)19(22-24(18)3)21-15-6-4-14(5-7-15)17-8-10-20-23(17)2;1-12(24)23-8-7-16-15(10-23)18(21-22(16)2)20-14-5-3-13(4-6-14)17-9-19-11-25-17/h5-11,14,30H,12-13,15H2,1-4H3,(H,25,26);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);5-8,11H,9-10,12H2,1-4H3,(H,21,23);5-8,11H,9-10,12H2,1-4H3,(H,22,23);4-8,10H,9,11-12H2,1-3H3,(H,21,22);3-6,9,11H,7-8,10H2,1-2H3,(H,20,21).

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

1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2255.72 g/mol, XLogP of 18.67, 20 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(1,3-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1,5-dimethylpyrazol-4-yl)anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-[3-(2-hydroxypropan-2-yl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(2-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158082968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).