3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine

C55H68F9N17O — CID 157442634

About 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine

3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine (PubChem CID 157442634) has the molecular formula C55H68F9N17O and a molecular weight of 1154.25 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine.

Molecular Properties

• Compound Name: 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine
• PubChem CID: 157442634
• Molecular Formula: C55H68F9N17O
• Molecular Weight: 1154.25 g/mol
• Exact Mass: 1153.56
• IUPAC Name: 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine
• SMILES: CC(C)CC1(C(N)=O)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.FC(F)(F)c1ccc(C2CCNCC2)nc1-c1[nH]nc2ncccc12.NCC1CCCN(c2cc(C(F)(F)F)cc(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C20H21F3N6O.C18H19F3N6.C17H16F3N5.6H2/c1-11(2)8-19(18(24)30)9-29(10-19)14-6-5-13(20(21,22)23)16(26-14)15-12-4-3-7-25-17(12)28-27-15;19-18(20,21)12-7-14(16-13-4-1-5-23-17(13)26-25-16)24-15(8-12)27-6-2-3-11(9-22)10-27;18-17(19,20)12-3-4-13(10-5-8-21-9-6-10)23-15(12)14-11-2-1-7-22-16(11)25-24-14;;;;;;/h3-7,11H,8-10H2,1-2H3,(H2,24,30)(H,25,27,28);1,4-5,7-8,11H,2-3,6,9-10,22H2,(H,23,25,26);1-4,7,10,21H,5-6,8-9H2,(H,22,24,25);6*1H
• InChIKey: BRVQSDVFPCSAPI-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 251.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1154.25
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine?

The IUPAC name of 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine (CID 157442634) is 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine.

What is the SMILES notation for 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine?

The canonical SMILES for 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine is CC(C)CC1(C(N)=O)CN(c2ccc(C(F)(F)F)c(-c3[nH]nc4ncccc34)n2)C1.FC(F)(F)c1ccc(C2CCNCC2)nc1-c1[nH]nc2ncccc12.NCC1CCCN(c2cc(C(F)(F)F)cc(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine?

The InChIKey is BRVQSDVFPCSAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O.C18H19F3N6.C17H16F3N5.6H2/c1-11(2)8-19(18(24)30)9-29(10-19)14-6-5-13(20(21,22)23)16(26-14)15-12-4-3-7-25-17(12)28-27-15;19-18(20,21)12-7-14(16-13-4-1-5-23-17(13)26-25-16)24-15(8-12)27-6-2-3-11(9-22)10-27;18-17(19,20)12-3-4-13(10-5-8-21-9-6-10)23-15(12)14-11-2-1-7-22-16(11)25-24-14;;;;;;/h3-7,11H,8-10H2,1-2H3,(H2,24,30)(H,25,27,28);1,4-5,7-8,11H,2-3,6,9-10,22H2,(H,23,25,26);1-4,7,10,21H,5-6,8-9H2,(H,22,24,25);6*1H.

What are the key properties of 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine?

3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine has a molecular weight of 1154.25 g/mol, XLogP of 11.57, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide;molecular hydrogen;3-[6-piperidin-4-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 157442634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).