1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen

C67H86F7N17O4 — CID 157370013

About 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen

1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen (PubChem CID 157370013) has the molecular formula C67H86F7N17O4 and a molecular weight of 1326.53 g/mol. Its IUPAC name is 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen
• PubChem CID: 157370013
• Molecular Formula: C67H86F7N17O4
• Molecular Weight: 1326.53 g/mol
• Exact Mass: 1325.69
• IUPAC Name: 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen
• SMILES: CC(C)CC1(O)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1C#N.CC(C)CC1(O)CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1C#N.COC(=O)C1(CC(C)C)CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H28F3N5O2.C22H23F3N6O.C21H23FN6O.6H2/c1-13(2)11-23(22(33)34-3)12-14(6-9-18(23)28)17-8-7-16(24(25,26)27)20(30-17)19-15-5-4-10-29-21(15)32-31-19;1-13(2)10-21(32)12-31(9-7-14(21)11-26)17-6-5-16(22(23,24)25)19(28-17)18-15-4-3-8-27-20(15)30-29-18;1-13(2)10-21(29)12-28(9-7-14(21)11-23)17-6-5-16(22)19(25-17)18-15-4-3-8-24-20(15)27-26-18;;;;;;/h4-5,7-8,10,13-14,18H,6,9,11-12,28H2,1-3H3,(H,29,31,32);3-6,8,13-14,32H,7,9-10,12H2,1-2H3,(H,27,29,30);3-6,8,13-14,29H,7,9-10,12H2,1-2H3,(H,24,26,27);6*1H
• InChIKey: BJQMXHYADVKXDE-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 310.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1326.53
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen?

The IUPAC name of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen (CID 157370013) is 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen.

What is the SMILES notation for 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen?

The canonical SMILES for 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen is CC(C)CC1(O)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1C#N.CC(C)CC1(O)CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1C#N.COC(=O)C1(CC(C)C)CC(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCC1N.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen?

The InChIKey is BJQMXHYADVKXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2.C22H23F3N6O.C21H23FN6O.6H2/c1-13(2)11-23(22(33)34-3)12-14(6-9-18(23)28)17-8-7-16(24(25,26)27)20(30-17)19-15-5-4-10-29-21(15)32-31-19;1-13(2)10-21(32)12-31(9-7-14(21)11-26)17-6-5-16(22(23,24)25)19(28-17)18-15-4-3-8-27-20(15)30-29-18;1-13(2)10-21(29)12-28(9-7-14(21)11-23)17-6-5-16(22)19(25-17)18-15-4-3-8-24-20(15)27-26-18;;;;;;/h4-5,7-8,10,13-14,18H,6,9,11-12,28H2,1-3H3,(H,29,31,32);3-6,8,13-14,32H,7,9-10,12H2,1-2H3,(H,27,29,30);3-6,8,13-14,29H,7,9-10,12H2,1-2H3,(H,24,26,27);6*1H.

What are the key properties of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen?

1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen has a molecular weight of 1326.53 g/mol, XLogP of 13.77, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-hydroxy-3-(2-methylpropyl)piperidine-4-carbonitrile;3-hydroxy-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonitrile;methyl 2-amino-1-(2-methylpropyl)-5-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 157370013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).