N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

C70H58F4N22O7 — CID 159524040

About N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine

N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 159524040) has the molecular formula C70H58F4N22O7 and a molecular weight of 1395.37 g/mol. Its IUPAC name is N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• PubChem CID: 159524040
• Molecular Formula: C70H58F4N22O7
• Molecular Weight: 1395.37 g/mol
• Exact Mass: 1394.48
• IUPAC Name: N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
• SMILES: C[C@@H]1CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.FC(F)(F)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12.O=C(NC1CC(F)C1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(NC1CCC1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C19H18N6O2.C18H15FN6O2.C18H16N6O2.C15H9F3N4O/c1-11-6-8-25(10-11)19(26)16-13-5-4-12(9-15(13)27-24-16)21-18-17-14(22-23-18)3-2-7-20-17;19-9-6-11(7-9)22-18(26)15-12-4-3-10(8-14(12)27-25-15)21-17-16-13(23-24-17)2-1-5-20-16;25-18(21-10-3-1-4-10)15-12-7-6-11(9-14(12)26-24-15)20-17-16-13(22-23-17)5-2-8-19-16;16-15(17,18)11-7-23-12-6-8(3-4-9(11)12)20-14-10-2-1-5-19-13(10)21-22-14/h2-5,7,9,11H,6,8,10H2,1H3,(H2,21,22,23);1-5,8-9,11H,6-7H2,(H,22,26)(H2,21,23,24);2,5-10H,1,3-4H2,(H,21,25)(H2,20,22,23);1-7H,(H2,19,20,21,22)/t11-;;;/m1.../s1
• InChIKey: MCDZAIBREKKKJD-HCEFKKQBSA-N
• XLogP: 13.99
• TPSA: 384.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1395.37
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The IUPAC name of N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 159524040) is N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine.

What is the SMILES notation for N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The canonical SMILES for N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is C[C@@H]1CCN(C(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.FC(F)(F)c1coc2cc(Nc3[nH]nc4ncccc34)ccc12.O=C(NC1CC(F)C1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.O=C(NC1CCC1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.

What is the InChIKey of N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

The InChIKey is MCDZAIBREKKKJD-HCEFKKQBSA-N. The full InChI is InChI=1S/C19H18N6O2.C18H15FN6O2.C18H16N6O2.C15H9F3N4O/c1-11-6-8-25(10-11)19(26)16-13-5-4-12(9-15(13)27-24-16)21-18-17-14(22-23-18)3-2-7-20-17;19-9-6-11(7-9)22-18(26)15-12-4-3-10(8-14(12)27-25-15)21-17-16-13(23-24-17)2-1-5-20-16;25-18(21-10-3-1-4-10)15-12-7-6-11(9-14(12)26-24-15)20-17-16-13(22-23-17)5-2-8-19-16;16-15(17,18)11-7-23-12-6-8(3-4-9(11)12)20-14-10-2-1-5-19-13(10)21-22-14/h2-5,7,9,11H,6,8,10H2,1H3,(H2,21,22,23);1-5,8-9,11H,6-7H2,(H,22,26)(H2,21,23,24);2,5-10H,1,3-4H2,(H,21,25)(H2,20,22,23);1-7H,(H2,19,20,21,22)/t11-;;;/m1.../s1.

What are the key properties of N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine?

N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 1395.37 g/mol, XLogP of 13.99, 13 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;N-(3-fluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazole-3-carboxamide;[(3R)-3-methylpyrrolidin-1-yl]-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;N-[3-(trifluoromethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 159524040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).