2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C59H65F7N18 — CID 157150461

About 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 157150461) has the molecular formula C59H65F7N18 and a molecular weight of 1159.28 g/mol. Its IUPAC name is 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
• PubChem CID: 157150461
• Molecular Formula: C59H65F7N18
• Molecular Weight: 1159.28 g/mol
• Exact Mass: 1158.55
• IUPAC Name: 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
• SMILES: CC(C)(N)C1CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.CNC1CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.FC(F)(F)c1ccc(N2CCC(Nc3ccccc3)CC2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H]
• InChI: InChI=1S/C23H21F3N6.C18H19F3N6.C18H21FN6.2H2/c24-23(25,26)18-8-9-19(29-21(18)20-17-7-4-12-27-22(17)31-30-20)32-13-10-16(11-14-32)28-15-5-2-1-3-6-15;1-22-11-6-9-27(10-7-11)14-5-4-13(18(19,20)21)16(24-14)15-12-3-2-8-23-17(12)26-25-15;1-18(2,20)11-7-9-25(10-11)14-6-5-13(19)16(22-14)15-12-4-3-8-21-17(12)24-23-15;;/h1-9,12,16,28H,10-11,13-14H2,(H,27,30,31);2-5,8,11,22H,6-7,9-10H2,1H3,(H,23,25,26);3-6,8,11H,7,9-10,20H2,1-2H3,(H,21,23,24);2*1H
• InChIKey: ALESONSOIDZLMW-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 223.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1159.28
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?

The IUPAC name of 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 157150461) is 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

What is the SMILES notation for 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?

The canonical SMILES for 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is CC(C)(N)C1CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.CNC1CCN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)CC1.FC(F)(F)c1ccc(N2CCC(Nc3ccccc3)CC2)nc1-c1[nH]nc2ncccc12.[H][H].[H][H].

What is the InChIKey of 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?

The InChIKey is ALESONSOIDZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6.C18H19F3N6.C18H21FN6.2H2/c24-23(25,26)18-8-9-19(29-21(18)20-17-7-4-12-27-22(17)31-30-20)32-13-10-16(11-14-32)28-15-5-2-1-3-6-15;1-22-11-6-9-27(10-7-11)14-5-4-13(18(19,20)21)16(24-14)15-12-3-2-8-23-17(12)26-25-15;1-18(2,20)11-7-9-25(10-11)14-6-5-13(19)16(22-14)15-12-4-3-8-21-17(12)24-23-15;;/h1-9,12,16,28H,10-11,13-14H2,(H,27,30,31);2-5,8,11,22H,6-7,9-10H2,1H3,(H,23,25,26);3-6,8,11H,7,9-10,20H2,1-2H3,(H,21,23,24);2*1H.

What are the key properties of 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?

2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 1159.28 g/mol, XLogP of 11.56, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 157150461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).