3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C126H119N39O5 — CID 159010110

About 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 159010110) has the molecular formula C126H119N39O5 and a molecular weight of 2259.61 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
• PubChem CID: 159010110
• Molecular Formula: C126H119N39O5
• Molecular Weight: 2259.61 g/mol
• Exact Mass: 2258.03
• IUPAC Name: 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
• SMILES: C1=NCc2ccc(Nc3n[nH]c4c3CCCC4)cc21.CC(C)(C)Cc1noc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(C)(C)Cc1noc2cc(Nc3n[nH]c4ccccc34)ccc12.CC1=NCc2ccc(Nc3[nH]nc4nccnc34)cc21.CC1=NCc2ccc(Nc3n[nH]c4cccnc34)cc21.CCc1noc2cc(Nc3[nH]nc4nccnc34)ccc12.CCc1noc2cc(Nc3n[nH]c4ccccc34)ccc12.CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C19H20N4O.C18H19N5O.C16H14N4O.C15H13N5O.C15H13N5.C15H16N4.C14H12N6O.C14H12N6/c1-19(2,3)11-16-13-9-8-12(10-17(13)24-23-16)20-18-14-6-4-5-7-15(14)21-22-18;1-18(2,3)10-14-12-7-6-11(9-15(12)24-23-14)20-17-13-5-4-8-19-16(13)21-22-17;1-2-13-11-8-7-10(9-15(11)21-20-13)17-16-12-5-3-4-6-14(12)18-19-16;1-2-11-10-6-5-9(8-13(10)21-20-11)17-15-14-12(18-19-15)4-3-7-16-14;1-9-12-7-11(5-4-10(12)8-17-9)18-15-14-13(19-20-15)3-2-6-16-14;1-2-4-14-13(3-1)15(19-18-14)17-12-6-5-10-8-16-9-11(10)7-12;1-2-10-9-4-3-8(7-11(9)21-20-10)17-14-12-13(18-19-14)16-6-5-15-12;1-8-11-6-10(3-2-9(11)7-17-8)18-14-12-13(19-20-14)16-5-4-15-12/h4-10H,11H2,1-3H3,(H2,20,21,22);4-9H,10H2,1-3H3,(H2,19,20,21,22);3-9H,2H2,1H3,(H2,17,18,19);3-8H,2H2,1H3,(H2,17,18,19);2-7H,8H2,1H3,(H2,18,19,20);5-7,9H,1-4,8H2,(H2,17,18,19);3-7H,2H2,1H3,(H2,16,17,18,19);2-6H,7H2,1H3,(H2,16,18,19,20)
• InChIKey: JSJLAAGTINTPPX-UHFFFAOYSA-N
• XLogP: 28.09
• TPSA: 583.14 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2259.61
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

The IUPAC name of 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 159010110) is 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

The canonical SMILES for 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is C1=NCc2ccc(Nc3n[nH]c4c3CCCC4)cc21.CC(C)(C)Cc1noc2cc(Nc3[nH]nc4ncccc34)ccc12.CC(C)(C)Cc1noc2cc(Nc3n[nH]c4ccccc34)ccc12.CC1=NCc2ccc(Nc3[nH]nc4nccnc34)cc21.CC1=NCc2ccc(Nc3n[nH]c4cccnc34)cc21.CCc1noc2cc(Nc3[nH]nc4nccnc34)ccc12.CCc1noc2cc(Nc3n[nH]c4ccccc34)ccc12.CCc1noc2cc(Nc3n[nH]c4cccnc34)ccc12.

What is the InChIKey of 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

The InChIKey is JSJLAAGTINTPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.C18H19N5O.C16H14N4O.C15H13N5O.C15H13N5.C15H16N4.C14H12N6O.C14H12N6/c1-19(2,3)11-16-13-9-8-12(10-17(13)24-23-16)20-18-14-6-4-5-7-15(14)21-22-18;1-18(2,3)10-14-12-7-6-11(9-15(12)24-23-14)20-17-13-5-4-8-19-16(13)21-22-17;1-2-13-11-8-7-10(9-15(11)21-20-13)17-16-12-5-3-4-6-14(12)18-19-16;1-2-11-10-6-5-9(8-13(10)21-20-11)17-15-14-12(18-19-15)4-3-7-16-14;1-9-12-7-11(5-4-10(12)8-17-9)18-15-14-13(19-20-15)3-2-6-16-14;1-2-4-14-13(3-1)15(19-18-14)17-12-6-5-10-8-16-9-11(10)7-12;1-2-10-9-4-3-8(7-11(9)21-20-10)17-14-12-13(18-19-14)16-6-5-15-12;1-8-11-6-10(3-2-9(11)7-17-8)18-14-12-13(19-20-14)16-5-4-15-12/h4-10H,11H2,1-3H3,(H2,20,21,22);4-9H,10H2,1-3H3,(H2,19,20,21,22);3-9H,2H2,1H3,(H2,17,18,19);3-8H,2H2,1H3,(H2,17,18,19);2-7H,8H2,1H3,(H2,18,19,20);5-7,9H,1-4,8H2,(H2,17,18,19);3-7H,2H2,1H3,(H2,16,17,18,19);2-6H,7H2,1H3,(H2,16,18,19,20).

What are the key properties of 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?

3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 2259.61 g/mol, XLogP of 28.09, 21 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,2-dimethylpropyl)-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-(2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-indazol-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-isoindol-5-yl)-4,5,6,7-tetrahydro-1H-indazol-3-amine;N-(3-methyl-1H-isoindol-5-yl)-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-(3-methyl-1H-isoindol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 159010110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).