3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C141H132F3N39O13 — CID 159340221

About 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 159340221) has the molecular formula C141H132F3N39O13 and a molecular weight of 2637.86 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

• Compound Name: 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• PubChem CID: 159340221
• Molecular Formula: C141H132F3N39O13
• Molecular Weight: 2637.86 g/mol
• Exact Mass: 2636.08
• IUPAC Name: 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• SMILES: C.CC(c1ccc2c(ccn2C)c1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC1(F)CC(CC(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.CC1CN(c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC(C)O1.CCc1ccc(Cc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)cn1.O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(F)(F)C1.c1cnc2c(Nc3ccc4c(OC5CCOCC5)noc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4c(OCC5CCCCC5)noc4c3)n[nH]c2c1
• InChI: InChI=1S/C24H20N6O.C21H18N6O.C20H18FN5O2.C20H21N5O2.C19H20N6O2.C18H14F2N6O2.C18H17N5O3.CH4/c1-14(15-5-8-20-16(12-15)9-11-30(20)2)22-18-7-6-17(13-21(18)31-29-22)26-24-23-19(27-28-24)4-3-10-25-23;1-2-14-6-5-13(12-23-14)10-18-16-8-7-15(11-19(16)28-27-18)24-21-20-17(25-26-21)4-3-9-22-20;1-20(21)9-11(10-20)7-15(27)17-13-5-4-12(8-16(13)28-26-17)23-19-18-14(24-25-19)3-2-6-22-18;1-2-5-13(6-3-1)12-26-20-15-9-8-14(11-17(15)27-25-20)22-19-18-16(23-24-19)7-4-10-21-18;1-11-9-25(10-12(2)26-11)19-14-6-5-13(8-16(14)27-24-19)21-18-17-15(22-23-18)4-3-7-20-17;19-18(20)5-7-26(9-18)17(27)14-11-4-3-10(8-13(11)28-25-14)22-16-15-12(23-24-16)2-1-6-21-15;1-2-14-16(19-7-1)17(22-21-14)20-11-3-4-13-15(10-11)26-23-18(13)25-12-5-8-24-9-6-12;/h3-14H,1-2H3,(H2,26,27,28);3-9,11-12H,2,10H2,1H3,(H2,24,25,26);2-6,8,11H,7,9-10H2,1H3,(H2,23,24,25);4,7-11,13H,1-3,5-6,12H2,(H2,22,23,24);3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23);1-4,6,8H,5,7,9H2,(H2,22,23,24);1-4,7,10,12H,5-6,8-9H2,(H2,20,21,22);1H4
• InChIKey: LGAVVUGXPLOXTA-UHFFFAOYSA-N
• XLogP: 30.05
• TPSA: 652.77 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.86
LogP ≤ 5	30.05
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The IUPAC name of 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 159340221) is 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

What is the SMILES notation for 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The canonical SMILES for 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is C.CC(c1ccc2c(ccn2C)c1)c1noc2cc(Nc3n[nH]c4cccnc34)ccc12.CC1(F)CC(CC(=O)c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)C1.CC1CN(c2noc3cc(Nc4n[nH]c5cccnc45)ccc23)CC(C)O1.CCc1ccc(Cc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)cn1.O=C(c1noc2cc(Nc3n[nH]c4cccnc34)ccc12)N1CCC(F)(F)C1.c1cnc2c(Nc3ccc4c(OC5CCOCC5)noc4c3)n[nH]c2c1.c1cnc2c(Nc3ccc4c(OCC5CCCCC5)noc4c3)n[nH]c2c1.

What is the InChIKey of 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The InChIKey is LGAVVUGXPLOXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O.C21H18N6O.C20H18FN5O2.C20H21N5O2.C19H20N6O2.C18H14F2N6O2.C18H17N5O3.CH4/c1-14(15-5-8-20-16(12-15)9-11-30(20)2)22-18-7-6-17(13-21(18)31-29-22)26-24-23-19(27-28-24)4-3-10-25-23;1-2-14-6-5-13(12-23-14)10-18-16-8-7-15(11-19(16)28-27-18)24-21-20-17(25-26-21)4-3-9-22-20;1-20(21)9-11(10-20)7-15(27)17-13-5-4-12(8-16(13)28-26-17)23-19-18-14(24-25-19)3-2-6-22-18;1-2-5-13(6-3-1)12-26-20-15-9-8-14(11-17(15)27-25-20)22-19-18-16(23-24-19)7-4-10-21-18;1-11-9-25(10-12(2)26-11)19-14-6-5-13(8-16(14)27-24-19)21-18-17-15(22-23-18)4-3-7-20-17;19-18(20)5-7-26(9-18)17(27)14-11-4-3-10(8-13(11)28-25-14)22-16-15-12(23-24-16)2-1-6-21-15;1-2-14-16(19-7-1)17(22-21-14)20-11-3-4-13-15(10-11)26-23-18(13)25-12-5-8-24-9-6-12;/h3-14H,1-2H3,(H2,26,27,28);3-9,11-12H,2,10H2,1H3,(H2,24,25,26);2-6,8,11H,7,9-10H2,1H3,(H2,23,24,25);4,7-11,13H,1-3,5-6,12H2,(H2,22,23,24);3-8,11-12H,9-10H2,1-2H3,(H2,21,22,23);1-4,6,8H,5,7,9H2,(H2,22,23,24);1-4,7,10,12H,5-6,8-9H2,(H2,20,21,22);1H4.

What are the key properties of 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 2637.86 g/mol, XLogP of 30.05, 29 rotatable bonds, 14 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclohexylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;(3,3-difluoropyrrolidin-1-yl)-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]methanone;3-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(6-ethyl-3-pyridinyl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone;methane;3-[1-(1-methylindol-5-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(oxan-4-yloxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 159340221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).