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

C81H91F6N25O5 — CID 158947753

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

3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158947753) has the molecular formula C81H91F6N25O5 and a molecular weight of 1608.78 g/mol. Its IUPAC name is 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158947753
• Molecular Formula: C81H91F6N25O5
• Molecular Weight: 1608.78 g/mol
• Exact Mass: 1607.75
• IUPAC Name: 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4ccn(C)n4)cc3)nn2CCC(N)=O)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(F)(F)F)C1
• InChI: InChI=1S/C21H23F3N6O.C21H25N7O2.C20H21F3N6O.C19H22N6O/c1-14(31)29-9-7-19-18(13-29)20(27-30(19)10-8-21(22,23)24)26-17-5-3-15(4-6-17)16-11-25-28(2)12-16;1-14(29)27-11-8-19-17(13-27)21(25-28(19)12-9-20(22)30)23-16-5-3-15(4-6-16)18-7-10-26(2)24-18;1-13(30)28-8-7-18-17(11-28)19(26-29(18)12-20(21,22)23)25-16-5-3-14(4-6-16)15-9-24-27(2)10-15;1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)21-16-6-4-14(5-7-16)15-10-20-23(2)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,27);3-7,10H,8-9,11-13H2,1-2H3,(H2,22,30)(H,23,25);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
• InChIKey: JLANOOFTNJCQBY-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 315.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1608.78
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158947753) is 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

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

The canonical SMILES for 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4ccn(C)n4)cc3)nn2CCC(N)=O)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2C)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CC(F)(F)F)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)cc3)nn2CCC(F)(F)F)C1.

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

The InChIKey is JLANOOFTNJCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O.C21H25N7O2.C20H21F3N6O.C19H22N6O/c1-14(31)29-9-7-19-18(13-29)20(27-30(19)10-8-21(22,23)24)26-17-5-3-15(4-6-17)16-11-25-28(2)12-16;1-14(29)27-11-8-19-17(13-27)21(25-28(19)12-9-20(22)30)23-16-5-3-15(4-6-16)18-7-10-26(2)24-18;1-13(30)28-8-7-18-17(11-28)19(26-29(18)12-20(21,22)23)25-16-5-3-14(4-6-16)15-9-24-27(2)10-15;1-13(26)25-9-8-18-17(12-25)19(22-24(18)3)21-16-6-4-14(5-7-16)15-10-20-23(2)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,27);3-7,10H,8-9,11-13H2,1-2H3,(H2,22,30)(H,23,25);3-6,9-10H,7-8,11-12H2,1-2H3,(H,25,26);4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).

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

3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1608.78 g/mol, XLogP of 11.65, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-acetyl-3-[4-(1-methylpyrazol-3-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanamide;1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[4-(1-methylpyrazol-4-yl)anilino]-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158947753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).