N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol

C57H62F10N20O3 — CID 159358943

About N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol

N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol (PubChem CID 159358943) has the molecular formula C57H62F10N20O3 and a molecular weight of 1265.24 g/mol. Its IUPAC name is N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol.

Molecular Properties

• Compound Name: N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
• PubChem CID: 159358943
• Molecular Formula: C57H62F10N20O3
• Molecular Weight: 1265.24 g/mol
• Exact Mass: 1264.52
• IUPAC Name: N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol
• SMILES: CC(C)C(O)(C1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1)C(F)(F)F.CNC(=O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.NC(=O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.[H][H]
• InChI: InChI=1S/C20H22F4N6O.C19H20F3N7O.C18H18F3N7O.H2/c1-11(2)19(31,20(22,23)24)14-10-30(9-8-25-14)15-6-5-13(21)17(27-15)16-12-4-3-7-26-18(12)29-28-16;1-23-15(30)9-11-10-29(8-7-24-11)14-5-4-13(19(20,21)22)17(26-14)16-12-3-2-6-25-18(12)28-27-16;19-18(20,21)12-3-4-14(28-7-6-23-10(9-28)8-13(22)29)25-16(12)15-11-2-1-5-24-17(11)27-26-15;/h3-7,11,14,25,31H,8-10H2,1-2H3,(H,26,28,29);2-6,11,24H,7-10H2,1H3,(H,23,30)(H,25,27,28);1-5,10,23H,6-9H2,(H2,22,29)(H,24,26,27);1H
• InChIKey: LIGYUXREUUWJMR-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 301.61 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.24
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol?

The IUPAC name of N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol (CID 159358943) is N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol.

What is the SMILES notation for N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol?

The canonical SMILES for N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol is CC(C)C(O)(C1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1)C(F)(F)F.CNC(=O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.NC(=O)CC1CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CCN1.[H][H].

What is the InChIKey of N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol?

The InChIKey is LIGYUXREUUWJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N6O.C19H20F3N7O.C18H18F3N7O.H2/c1-11(2)19(31,20(22,23)24)14-10-30(9-8-25-14)15-6-5-13(21)17(27-15)16-12-4-3-7-26-18(12)29-28-16;1-23-15(30)9-11-10-29(8-7-24-11)14-5-4-13(19(20,21)22)17(26-14)16-12-3-2-6-25-18(12)28-27-16;19-18(20,21)12-3-4-14(28-7-6-23-10(9-28)8-13(22)29)25-16(12)15-11-2-1-5-24-17(11)27-26-15;/h3-7,11,14,25,31H,8-10H2,1-2H3,(H,26,28,29);2-6,11,24H,7-10H2,1H3,(H,23,30)(H,25,27,28);1-5,10,23H,6-9H2,(H2,22,29)(H,24,26,27);1H.

What are the key properties of N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol?

N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol has a molecular weight of 1265.24 g/mol, XLogP of 6.78, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;molecular hydrogen;2-[4-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperazin-2-yl]acetamide;1,1,1-trifluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 159358943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).