3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C83H64N22O4 — CID 157332172

About 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 157332172) has the molecular formula C83H64N22O4 and a molecular weight of 1433.57 g/mol. Its IUPAC name is 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

• Compound Name: 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• PubChem CID: 157332172
• Molecular Formula: C83H64N22O4
• Molecular Weight: 1433.57 g/mol
• Exact Mass: 1432.55
• IUPAC Name: 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• SMILES: Cn1ccc2cc(Cc3noc4cc(Nc5n[nH]c6cccnc56)ccc34)ccc21.c1ccc(CCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc(Cc2noc3cc(Nc4[nH]nc5nccnc45)ccc23)cc1.c1ccc(Cc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1
• InChI: InChI=1S/C23H18N6O.C21H17N5O.C20H15N5O.C19H14N6O/c1-29-10-8-15-11-14(4-7-20(15)29)12-19-17-6-5-16(13-21(17)30-28-19)25-23-22-18(26-27-23)3-2-9-24-22;1-2-5-14(6-3-1)8-11-17-16-10-9-15(13-19(16)27-26-17)23-21-20-18(24-25-21)7-4-12-22-20;1-2-5-13(6-3-1)11-17-15-9-8-14(12-18(15)26-25-17)22-20-19-16(23-24-20)7-4-10-21-19;1-2-4-12(5-3-1)10-15-14-7-6-13(11-16(14)26-25-15)22-19-17-18(23-24-19)21-9-8-20-17/h2-11,13H,12H2,1H3,(H2,25,26,27);1-7,9-10,12-13H,8,11H2,(H2,23,24,25);1-10,12H,11H2,(H2,22,23,24);1-9,11H,10H2,(H2,21,22,23,24)
• InChIKey: BFKKYLOAOVKAHD-UHFFFAOYSA-N
• XLogP: 17.82
• TPSA: 336.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1433.57
LogP ≤ 5	17.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The IUPAC name of 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 157332172) is 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

What is the SMILES notation for 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The canonical SMILES for 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is Cn1ccc2cc(Cc3noc4cc(Nc5n[nH]c6cccnc56)ccc34)ccc21.c1ccc(CCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.c1ccc(Cc2noc3cc(Nc4[nH]nc5nccnc45)ccc23)cc1.c1ccc(Cc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)cc1.

What is the InChIKey of 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

The InChIKey is BFKKYLOAOVKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O.C21H17N5O.C20H15N5O.C19H14N6O/c1-29-10-8-15-11-14(4-7-20(15)29)12-19-17-6-5-16(13-21(17)30-28-19)25-23-22-18(26-27-23)3-2-9-24-22;1-2-5-14(6-3-1)8-11-17-16-10-9-15(13-19(16)27-26-17)23-21-20-18(24-25-21)7-4-12-22-20;1-2-5-13(6-3-1)11-17-15-9-8-14(12-18(15)26-25-17)22-20-19-16(23-24-20)7-4-10-21-19;1-2-4-12(5-3-1)10-15-14-7-6-13(11-16(14)26-25-15)22-19-17-18(23-24-19)21-9-8-20-17/h2-11,13H,12H2,1H3,(H2,25,26,27);1-7,9-10,12-13H,8,11H2,(H2,23,24,25);1-10,12H,11H2,(H2,22,23,24);1-9,11H,10H2,(H2,21,22,23,24).

What are the key properties of 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?

3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 1433.57 g/mol, XLogP of 17.82, 17 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 157332172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).