4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate

C130H119F4N27O10 — CID 162214259

About 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate

4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate (PubChem CID 162214259) has the molecular formula C130H119F4N27O10 and a molecular weight of 2295.55 g/mol. Its IUPAC name is 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate.

Molecular Properties

• Compound Name: 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate
• PubChem CID: 162214259
• Molecular Formula: C130H119F4N27O10
• Molecular Weight: 2295.55 g/mol
• Exact Mass: 2293.96
• IUPAC Name: 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate
• SMILES: CC(=O)Cc1ccc(-c2nn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)cnc23)cc1.Cc1noc(C)c1-c1cnc2c(c1)c(Cc1ccccc1)nn2-c1ccc(C(=O)O)cc1F.[H]/N=C(\Cc1ccccc1)c1cc(-c2c(C)noc2C)cnc1Nc1ccc(C(=O)OCC)cc1F.[H]/N=C(\c1cnn(C)c1)c1ncc(-c2c(C)noc2C)cc1N[C@@H](C)c1ccccn1.[H]/N=C(\c1cnn(CC(C)(F)F)c1)c1ncc(-c2c(C)noc2C)cc1N[C@@H](C)c1ccccn1
• InChI: InChI=1S/C32H27N5O2.C27H25FN4O3.C25H19FN4O3.C24H25F2N7O.C22H23N7O/c1-20(38)17-23-12-14-24(15-13-23)30-31-28(18-26(19-34-31)29-21(2)36-39-22(29)3)37(35-30)32(25-9-5-4-6-10-25)27-11-7-8-16-33-27;1-4-34-27(33)19-10-11-24(22(28)14-19)31-26-21(23(29)12-18-8-6-5-7-9-18)13-20(15-30-26)25-16(2)32-35-17(25)3;1-14-23(15(2)33-29-14)18-11-19-21(10-16-6-4-3-5-7-16)28-30(24(19)27-13-18)22-9-8-17(25(31)32)12-20(22)26;1-14(19-7-5-6-8-28-19)31-20-9-17(21-15(2)32-34-16(21)3)10-29-23(20)22(27)18-11-30-33(12-18)13-24(4,25)26;1-13(18-7-5-6-8-24-18)27-19-9-16(20-14(2)28-30-15(20)3)10-25-22(19)21(23)17-11-26-29(4)12-17/h4-16,18-19,32H,17H2,1-3H3;5-11,13-15,29H,4,12H2,1-3H3,(H,30,31);3-9,11-13H,10H2,1-2H3,(H,31,32);5-12,14,27,31H,13H2,1-4H3;5-13,23,27H,1-4H3/b;29-23+;;27-22+;23-21+/t;;;14-;13-/m...00/s1
• InChIKey: ZTGIYJWSDSIKFJ-OLBOYFERSA-N
• XLogP: 26.94
• TPSA: 492.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.55
LogP ≤ 5	26.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate?

The IUPAC name of 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate (CID 162214259) is 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate.

What is the SMILES notation for 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate?

The canonical SMILES for 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate is CC(=O)Cc1ccc(-c2nn(C(c3ccccc3)c3ccccn3)c3cc(-c4c(C)noc4C)cnc23)cc1.Cc1noc(C)c1-c1cnc2c(c1)c(Cc1ccccc1)nn2-c1ccc(C(=O)O)cc1F.[H]/N=C(\Cc1ccccc1)c1cc(-c2c(C)noc2C)cnc1Nc1ccc(C(=O)OCC)cc1F.[H]/N=C(\c1cnn(C)c1)c1ncc(-c2c(C)noc2C)cc1N[C@@H](C)c1ccccn1.[H]/N=C(\c1cnn(CC(C)(F)F)c1)c1ncc(-c2c(C)noc2C)cc1N[C@@H](C)c1ccccn1.

What is the InChIKey of 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate?

The InChIKey is ZTGIYJWSDSIKFJ-OLBOYFERSA-N. The full InChI is InChI=1S/C32H27N5O2.C27H25FN4O3.C25H19FN4O3.C24H25F2N7O.C22H23N7O/c1-20(38)17-23-12-14-24(15-13-23)30-31-28(18-26(19-34-31)29-21(2)36-39-22(29)3)37(35-30)32(25-9-5-4-6-10-25)27-11-7-8-16-33-27;1-4-34-27(33)19-10-11-24(22(28)14-19)31-26-21(23(29)12-18-8-6-5-7-9-18)13-20(15-30-26)25-16(2)32-35-17(25)3;1-14-23(15(2)33-29-14)18-11-19-21(10-16-6-4-3-5-7-16)28-30(24(19)27-13-18)22-9-8-17(25(31)32)12-20(22)26;1-14(19-7-5-6-8-28-19)31-20-9-17(21-15(2)32-34-16(21)3)10-29-23(20)22(27)18-11-30-33(12-18)13-24(4,25)26;1-13(18-7-5-6-8-24-18)27-19-9-16(20-14(2)28-30-15(20)3)10-25-22(19)21(23)17-11-26-29(4)12-17/h4-16,18-19,32H,17H2,1-3H3;5-11,13-15,29H,4,12H2,1-3H3,(H,30,31);3-9,11-13H,10H2,1-2H3,(H,31,32);5-12,14,27,31H,13H2,1-4H3;5-13,23,27H,1-4H3/b;29-23+;;27-22+;23-21+/t;;;14-;13-/m...00/s1.

What are the key properties of 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate?

4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate has a molecular weight of 2295.55 g/mol, XLogP of 26.94, 34 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]-3-fluorobenzoic acid;2-[1-(2,2-difluoropropyl)pyrazole-4-carboximidoyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazole-4-carboximidoyl)-N-[(1S)-1-pyridin-2-ylethyl]pyridin-3-amine;1-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]pyrazolo[4,3-b]pyridin-3-yl]phenyl]propan-2-one;ethyl 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethanimidoyl)-2-pyridinyl]amino]-3-fluorobenzoate is sourced from PubChem (CID 162214259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).