3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C82H88F6N30 — CID 159838128

About 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159838128) has the molecular formula C82H88F6N30 and a molecular weight of 1607.80 g/mol. Its IUPAC name is 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 159838128
• Molecular Formula: C82H88F6N30
• Molecular Weight: 1607.80 g/mol
• Exact Mass: 1606.77
• IUPAC Name: 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: CC(C)[C@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.FC(F)(F)c1ccc(N2CCNC(C(F)(F)F)C2)nc1-c1[nH]nc2ncccc12.NC1CCN(c2cccc(-c3[nH]nc4ncccc34)n2)CC1.NC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)C1.NCC1CCN(c2cccc(-c3[nH]nc4ncccc34)n2)CC1
• InChI: InChI=1S/C18H22N6.C17H14F6N6.C17H20N6.C16H18N6.C14H14N6/c1-12(2)15-11-24(10-9-19-15)16-7-3-6-14(21-16)17-13-5-4-8-20-18(13)23-22-17;18-16(19,20)10-3-4-12(29-7-6-24-11(8-29)17(21,22)23)26-14(10)13-9-2-1-5-25-15(9)28-27-13;18-11-12-6-9-23(10-7-12)15-5-1-4-14(20-15)16-13-3-2-8-19-17(13)22-21-16;17-11-6-9-22(10-7-11)14-5-1-4-13(19-14)15-12-3-2-8-18-16(12)21-20-15;15-9-7-20(8-9)12-5-1-4-11(17-12)13-10-3-2-6-16-14(10)19-18-13/h3-8,12,15,19H,9-11H2,1-2H3,(H,20,22,23);1-5,11,24H,6-8H2,(H,25,27,28);1-5,8,12H,6-7,9-11,18H2,(H,19,21,22);1-5,8,11H,6-7,9-10,17H2,(H,18,20,21);1-6,9H,7-8,15H2,(H,16,18,19)/t15-;;;;/m1..../s1
• InChIKey: NOIOIHGKNYBGIZ-FKOXPEIHSA-N
• XLogP: 11.14
• TPSA: 390.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1607.80
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 159838128) is 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC(C)[C@H]1CN(c2cccc(-c3[nH]nc4ncccc34)n2)CCN1.FC(F)(F)c1ccc(N2CCNC(C(F)(F)F)C2)nc1-c1[nH]nc2ncccc12.NC1CCN(c2cccc(-c3[nH]nc4ncccc34)n2)CC1.NC1CN(c2cccc(-c3[nH]nc4ncccc34)n2)C1.NCC1CCN(c2cccc(-c3[nH]nc4ncccc34)n2)CC1.

What is the InChIKey of 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is NOIOIHGKNYBGIZ-FKOXPEIHSA-N. The full InChI is InChI=1S/C18H22N6.C17H14F6N6.C17H20N6.C16H18N6.C14H14N6/c1-12(2)15-11-24(10-9-19-15)16-7-3-6-14(21-16)17-13-5-4-8-20-18(13)23-22-17;18-16(19,20)10-3-4-12(29-7-6-24-11(8-29)17(21,22)23)26-14(10)13-9-2-1-5-25-15(9)28-27-13;18-11-12-6-9-23(10-7-12)15-5-1-4-14(20-15)16-13-3-2-8-19-17(13)22-21-16;17-11-6-9-22(10-7-11)14-5-1-4-13(19-14)15-12-3-2-8-18-16(12)21-20-15;15-9-7-20(8-9)12-5-1-4-11(17-12)13-10-3-2-6-16-14(10)19-18-13/h3-8,12,15,19H,9-11H2,1-2H3,(H,20,22,23);1-5,11,24H,6-8H2,(H,25,27,28);1-5,8,12H,6-7,9-11,18H2,(H,19,21,22);1-5,8,11H,6-7,9-10,17H2,(H,18,20,21);1-6,9H,7-8,15H2,(H,16,18,19)/t15-;;;;/m1..../s1.

What are the key properties of 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1607.80 g/mol, XLogP of 11.14, 12 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159838128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).