2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C85H72F6N24O9 — CID 158718352

About 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 158718352) has the molecular formula C85H72F6N24O9 and a molecular weight of 1687.66 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
• PubChem CID: 158718352
• Molecular Formula: C85H72F6N24O9
• Molecular Weight: 1687.66 g/mol
• Exact Mass: 1686.58
• IUPAC Name: 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
• SMILES: CC(C)(C)C(=O)Nc1coc2cc(Nc3[nH]nc4nccnc34)ccc12.CC(C)(C)C(=O)Nc1coc2cc(Nc3n[nH]c4cccnc34)ccc12.FC(F)(F)c1coc2cc(Nc3[nH]nc4nccnc34)ccc12.FC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(OC5CCCOC5)coc4c3)n[nH]c2c1
• InChI: InChI=1S/C19H19N5O2.C19H18N4O3.C18H18N6O2.C15H9F3N4O.C14H8F3N5O/c1-19(2,3)18(25)22-14-10-26-15-9-11(6-7-12(14)15)21-17-16-13(23-24-17)5-4-8-20-16;1-4-15-18(20-7-1)19(23-22-15)21-12-5-6-14-16(9-12)25-11-17(14)26-13-3-2-8-24-10-13;1-18(2,3)17(25)22-12-9-26-13-8-10(4-5-11(12)13)21-16-14-15(23-24-16)20-7-6-19-14;16-15(17,18)10-7-23-12-6-8(3-4-9(10)12)20-14-13-11(21-22-14)2-1-5-19-13;15-14(16,17)9-6-23-10-5-7(1-2-8(9)10)20-13-11-12(21-22-13)19-4-3-18-11/h4-10H,1-3H3,(H,22,25)(H2,21,23,24);1,4-7,9,11,13H,2-3,8,10H2,(H2,21,22,23);4-9H,1-3H3,(H,22,25)(H2,20,21,23,24);1-7H,(H2,20,21,22);1-6H,(H2,19,20,21,22)
• InChIKey: IJPIDOGUUBQMSE-UHFFFAOYSA-N
• XLogP: 20.59
• TPSA: 436.14 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1687.66
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The IUPAC name of 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 158718352) is 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

What is the SMILES notation for 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The canonical SMILES for 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is CC(C)(C)C(=O)Nc1coc2cc(Nc3[nH]nc4nccnc34)ccc12.CC(C)(C)C(=O)Nc1coc2cc(Nc3n[nH]c4cccnc34)ccc12.FC(F)(F)c1coc2cc(Nc3[nH]nc4nccnc34)ccc12.FC(F)(F)c1coc2cc(Nc3n[nH]c4cccnc34)ccc12.c1cnc2c(Nc3ccc4c(OC5CCCOC5)coc4c3)n[nH]c2c1.

What is the InChIKey of 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

The InChIKey is IJPIDOGUUBQMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2.C19H18N4O3.C18H18N6O2.C15H9F3N4O.C14H8F3N5O/c1-19(2,3)18(25)22-14-10-26-15-9-11(6-7-12(14)15)21-17-16-13(23-24-17)5-4-8-20-16;1-4-15-18(20-7-1)19(23-22-15)21-12-5-6-14-16(9-12)25-11-17(14)26-13-3-2-8-24-10-13;1-18(2,3)17(25)22-12-9-26-13-8-10(4-5-11(12)13)21-16-14-15(23-24-16)20-7-6-19-14;16-15(17,18)10-7-23-12-6-8(3-4-9(10)12)20-14-13-11(21-22-14)2-1-5-19-13;15-14(16,17)9-6-23-10-5-7(1-2-8(9)10)20-13-11-12(21-22-13)19-4-3-18-11/h4-10H,1-3H3,(H,22,25)(H2,21,23,24);1,4-7,9,11,13H,2-3,8,10H2,(H2,21,22,23);4-9H,1-3H3,(H,22,25)(H2,20,21,23,24);1-7H,(H2,20,21,22);1-6H,(H2,19,20,21,22).

What are the key properties of 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?

2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 1687.66 g/mol, XLogP of 20.59, 14 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[6-(2H-pyrazolo[3,4-b]pyrazin-3-ylamino)-1-benzofuran-3-yl]propanamide;2,2-dimethyl-N-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1-benzofuran-3-yl]propanamide;N-[3-(oxan-3-yloxy)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 158718352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).