1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile

C124H151F5N32O12S — CID 158391835

About 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile

1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile (PubChem CID 158391835) has the molecular formula C124H151F5N32O12S and a molecular weight of 2408.84 g/mol. Its IUPAC name is 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile.

Molecular Properties

• Compound Name: 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile
• PubChem CID: 158391835
• Molecular Formula: C124H151F5N32O12S
• Molecular Weight: 2408.84 g/mol
• Exact Mass: 2407.18
• IUPAC Name: 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile
• SMILES: CCC(=O)N1CCc2c(c(Nc3cc(-c4cnn(C)c4)cc(S(=O)(=O)N(C)C)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3cc(F)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3F)nn2C2CCOCC2)C1
• InChI: InChI=1S/C26H35N7O4S.C25H28FN7O2.C25H31FN6O2.C24H28F2N6O2.C24H29FN6O2/c1-5-25(34)32-9-6-24-23(17-32)26(29-33(24)21-7-10-37-11-8-21)28-20-12-18(19-15-27-31(4)16-19)13-22(14-20)38(35,36)30(2)3;1-3-24(34)32-7-4-23-20(15-32)25(30-33(23)18-5-8-35-9-6-18)29-22-10-16(12-27)19(11-21(22)26)17-13-28-31(2)14-17;1-4-24(33)31-10-7-23-20(15-31)25(29-32(23)18-8-11-34-12-9-18)28-22-6-5-17(13-21(22)26)19-14-27-30(3)16(19)2;1-3-23(33)31-7-4-22-18(14-31)24(29-32(22)16-5-8-34-9-6-16)28-21-11-19(25)17(10-20(21)26)15-12-27-30(2)13-15;1-3-22(32)30-10-7-21-19(15-30)24(28-31(21)17-8-11-33-12-9-17)27-20-6-4-5-18(23(20)25)16-13-26-29(2)14-16/h12-16,21H,5-11,17H2,1-4H3,(H,28,29);10-11,13-14,18H,3-9,15H2,1-2H3,(H,29,30);5-6,13-14,18H,4,7-12,15H2,1-3H3,(H,28,29);10-13,16H,3-9,14H2,1-2H3,(H,28,29);4-6,13-14,17H,3,7-12,15H2,1-2H3,(H,27,28)
• InChIKey: GXBBXBUWRXUZPE-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 447.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.84
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile?

The IUPAC name of 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile (CID 158391835) is 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile.

What is the SMILES notation for 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile?

The canonical SMILES for 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile is CCC(=O)N1CCc2c(c(Nc3cc(-c4cnn(C)c4)cc(S(=O)(=O)N(C)C)c3)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3cc(C#N)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3cc(F)c(-c4cnn(C)c4)cc3F)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3ccc(-c4cnn(C)c4C)cc3F)nn2C2CCOCC2)C1.CCC(=O)N1CCc2c(c(Nc3cccc(-c4cnn(C)c4)c3F)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile?

The InChIKey is GXBBXBUWRXUZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4S.C25H28FN7O2.C25H31FN6O2.C24H28F2N6O2.C24H29FN6O2/c1-5-25(34)32-9-6-24-23(17-32)26(29-33(24)21-7-10-37-11-8-21)28-20-12-18(19-15-27-31(4)16-19)13-22(14-20)38(35,36)30(2)3;1-3-24(34)32-7-4-23-20(15-32)25(30-33(23)18-5-8-35-9-6-18)29-22-10-16(12-27)19(11-21(22)26)17-13-28-31(2)14-17;1-4-24(33)31-10-7-23-20(15-31)25(29-32(23)18-8-11-34-12-9-18)28-22-6-5-17(13-21(22)26)19-14-27-30(3)16(19)2;1-3-23(33)31-7-4-22-18(14-31)24(29-32(22)16-5-8-34-9-6-16)28-21-11-19(25)17(10-20(21)26)15-12-27-30(2)13-15;1-3-22(32)30-10-7-21-19(15-30)24(28-31(21)17-8-11-33-12-9-17)27-20-6-4-5-18(23(20)25)16-13-26-29(2)14-16/h12-16,21H,5-11,17H2,1-4H3,(H,28,29);10-11,13-14,18H,3-9,15H2,1-2H3,(H,29,30);5-6,13-14,18H,4,7-12,15H2,1-3H3,(H,28,29);10-13,16H,3-9,14H2,1-2H3,(H,28,29);4-6,13-14,17H,3,7-12,15H2,1-2H3,(H,27,28).

What are the key properties of 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile?

1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile has a molecular weight of 2408.84 g/mol, XLogP of 18.49, 27 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2,5-difluoro-4-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;N,N-dimethyl-3-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzenesulfonamide;1-[3-[4-(1,5-dimethylpyrazol-4-yl)-2-fluoroanilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-fluoro-3-(1-methylpyrazol-4-yl)anilino]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;4-fluoro-2-(1-methylpyrazol-4-yl)-5-[[1-(oxan-4-yl)-5-propanoyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]benzonitrile is sourced from PubChem (CID 158391835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).