5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C111H111F15N32O10 — CID 158660273

About 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158660273) has the molecular formula C111H111F15N32O10 and a molecular weight of 2338.29 g/mol. Its IUPAC name is 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158660273
• Molecular Formula: C111H111F15N32O10
• Molecular Weight: 2338.29 g/mol
• Exact Mass: 2336.89
• IUPAC Name: 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3cc(C(F)F)c(-c4cnn(C)c4)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3cc(F)c(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(C(F)F)c3)nn2C2COC2)C1
• InChI: InChI=1S/C23H21F4N7O2.C22H21F5N6O2.C22H23F3N6O2.C22H24F2N6O2.C22H22FN7O2/c1-12(35)33-4-3-20-17(9-33)22(31-34(20)14-10-36-11-14)29-19-5-13(7-28)15(6-18(19)24)16-8-32(2)30-21(16)23(25,26)27;1-11(34)32-4-3-19-15(8-32)21(30-33(19)12-9-35-10-12)28-18-6-16(23)13(5-17(18)24)14-7-31(2)29-20(14)22(25,26)27;1-12(32)30-4-3-20-17(9-30)22(28-31(20)14-10-33-11-14)27-19-6-16(21(24)25)15(5-18(19)23)13-7-26-29(2)8-13;1-13(31)29-6-5-20-19(10-29)22(27-30(20)16-11-32-12-16)26-15-3-4-17(18(7-15)21(23)24)14-8-25-28(2)9-14;1-13(31)29-4-3-21-18(10-29)22(27-30(21)16-11-32-12-16)26-20-5-14(7-24)17(6-19(20)23)15-8-25-28(2)9-15/h5-6,8,14H,3-4,9-11H2,1-2H3,(H,29,31);5-7,12H,3-4,8-10H2,1-2H3,(H,28,30);5-8,14,21H,3-4,9-11H2,1-2H3,(H,27,28);3-4,7-9,16,21H,5-6,10-12H2,1-2H3,(H,26,27);5-6,8-9,16H,3-4,10-12H2,1-2H3,(H,26,27)
• InChIKey: ICQYXRZTWVYFIS-UHFFFAOYSA-N
• XLogP: 16.87
• TPSA: 433.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2338.29
LogP ≤ 5	16.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158660273) is 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3cc(C(F)F)c(-c4cnn(C)c4)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3cc(F)c(-c4cn(C)nc4C(F)(F)F)cc3F)nn2C2COC2)C1.CC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4)c(C(F)F)c3)nn2C2COC2)C1.

What is the InChIKey of 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is ICQYXRZTWVYFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N7O2.C22H21F5N6O2.C22H23F3N6O2.C22H24F2N6O2.C22H22FN7O2/c1-12(35)33-4-3-20-17(9-33)22(31-34(20)14-10-36-11-14)29-19-5-13(7-28)15(6-18(19)24)16-8-32(2)30-21(16)23(25,26)27;1-11(34)32-4-3-19-15(8-32)21(30-33(19)12-9-35-10-12)28-18-6-16(23)13(5-17(18)24)14-7-31(2)29-20(14)22(25,26)27;1-12(32)30-4-3-20-17(9-30)22(28-31(20)14-10-33-11-14)27-19-6-16(21(24)25)15(5-18(19)23)13-7-26-29(2)8-13;1-13(31)29-6-5-20-19(10-29)22(27-30(20)16-11-32-12-16)26-15-3-4-17(18(7-15)21(23)24)14-8-25-28(2)9-14;1-13(31)29-4-3-21-18(10-29)22(27-30(21)16-11-32-12-16)26-20-5-14(7-24)17(6-19(20)23)15-8-25-28(2)9-15/h5-6,8,14H,3-4,9-11H2,1-2H3,(H,29,31);5-7,12H,3-4,8-10H2,1-2H3,(H,28,30);5-8,14,21H,3-4,9-11H2,1-2H3,(H,27,28);3-4,7-9,16,21H,5-6,10-12H2,1-2H3,(H,26,27);5-6,8-9,16H,3-4,10-12H2,1-2H3,(H,26,27).

What are the key properties of 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2338.29 g/mol, XLogP of 16.87, 22 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-(1-methylpyrazol-4-yl)benzonitrile;5-[[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-4-fluoro-2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzonitrile;1-[3-[5-(difluoromethyl)-2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(difluoromethyl)-4-(1-methylpyrazol-4-yl)anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[2,5-difluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]anilino]-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158660273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).