1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C94H88F4N28O6 — CID 160949180

About 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 160949180) has the molecular formula C94H88F4N28O6 and a molecular weight of 1781.92 g/mol. Its IUPAC name is 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
• PubChem CID: 160949180
• Molecular Formula: C94H88F4N28O6
• Molecular Weight: 1781.92 g/mol
• Exact Mass: 1780.74
• IUPAC Name: 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
• SMILES: CC(C)(C)C(F)(F)c1noc2cc(Nc3[nH]nc4nccnc34)ccc12.CC(O)(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC1.CC1(F)CCN(Cc2noc3cc(Nc4[nH]nc5nccnc45)ccc23)CC1.CC1(F)CCN(Cc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.c1ccc(-c2coc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1
• InChI: InChI=1S/C20H21FN6O.C20H14N4O.C19H20FN7O.C18H17N5O2.C17H16F2N6O/c1-20(21)6-9-27(10-7-20)12-16-14-5-4-13(11-17(14)28-26-16)23-19-18-15(24-25-19)3-2-8-22-18;1-2-5-13(6-3-1)16-12-25-18-11-14(8-9-15(16)18)22-20-19-17(23-24-20)7-4-10-21-19;1-19(20)4-8-27(9-5-19)11-14-13-3-2-12(10-15(13)28-26-14)23-18-16-17(24-25-18)22-7-6-21-16;1-18(24,10-4-5-10)16-12-7-6-11(9-14(12)25-23-16)20-17-15-13(21-22-17)3-2-8-19-15;1-16(2,3)17(18,19)13-10-5-4-9(8-11(10)26-25-13)22-15-12-14(23-24-15)21-7-6-20-12/h2-5,8,11H,6-7,9-10,12H2,1H3,(H2,23,24,25);1-12H,(H2,22,23,24);2-3,6-7,10H,4-5,8-9,11H2,1H3,(H2,22,23,24,25);2-3,6-10,24H,4-5H2,1H3,(H2,20,21,22);4-8H,1-3H3,(H2,21,22,23,24)
• InChIKey: SVNJGLFWAHGNGD-UHFFFAOYSA-N
• XLogP: 20.68
• TPSA: 437.75 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1781.92
LogP ≤ 5	20.68
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

The IUPAC name of 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 160949180) is 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

What is the SMILES notation for 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

The canonical SMILES for 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is CC(C)(C)C(F)(F)c1noc2cc(Nc3[nH]nc4nccnc34)ccc12.CC(O)(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)C1CC1.CC1(F)CCN(Cc2noc3cc(Nc4[nH]nc5nccnc45)ccc23)CC1.CC1(F)CCN(Cc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.c1ccc(-c2coc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.

What is the InChIKey of 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

The InChIKey is SVNJGLFWAHGNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O.C20H14N4O.C19H20FN7O.C18H17N5O2.C17H16F2N6O/c1-20(21)6-9-27(10-7-20)12-16-14-5-4-13(11-17(14)28-26-16)23-19-18-15(24-25-19)3-2-8-22-18;1-2-5-13(6-3-1)16-12-25-18-11-14(8-9-15(16)18)22-20-19-17(23-24-20)7-4-10-21-19;1-19(20)4-8-27(9-5-19)11-14-13-3-2-12(10-15(13)28-26-14)23-18-16-17(24-25-18)22-7-6-21-16;1-18(24,10-4-5-10)16-12-7-6-11(9-14(12)25-23-16)20-17-15-13(21-22-17)3-2-8-19-15;1-16(2,3)17(18,19)13-10-5-4-9(8-11(10)26-25-13)22-15-12-14(23-24-15)21-7-6-20-12/h2-5,8,11H,6-7,9-10,12H2,1H3,(H2,23,24,25);1-12H,(H2,22,23,24);2-3,6-7,10H,4-5,8-9,11H2,1H3,(H2,22,23,24,25);2-3,6-10,24H,4-5H2,1H3,(H2,20,21,22);4-8H,1-3H3,(H2,21,22,23,24).

What are the key properties of 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 1781.92 g/mol, XLogP of 20.68, 18 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanol;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(3-phenyl-1-benzofuran-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 160949180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).