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

C80H72N22O5 — CID 157363368

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

3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 157363368) has the molecular formula C80H72N22O5 and a molecular weight of 1421.60 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

• Compound Name: 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• PubChem CID: 157363368
• Molecular Formula: C80H72N22O5
• Molecular Weight: 1421.60 g/mol
• Exact Mass: 1420.61
• IUPAC Name: 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
• SMILES: CC(C)(C)CCc1noc2cc(Nc3[nH]nc4ncccc34)ccc12.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.Cn1ccc2cc(Cc3noc4cc(Nc5[nH]nc6nccnc56)ccc34)ccc21.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)n[nH]c2c1
• InChI: InChI=1S/C22H17N7O.C21H17N5O2.C19H21N5O.C18H17N5O/c1-29-9-6-14-10-13(2-5-18(14)29)11-17-16-4-3-15(12-19(16)30-28-17)25-22-20-21(26-27-22)24-8-7-23-20;1-13-4-2-5-15(10-13)27-12-18-16-8-7-14(11-19(16)28-26-18)23-21-20-17(24-25-21)6-3-9-22-20;1-19(2,3)9-8-15-13-7-6-12(11-16(13)25-24-15)21-18-14-5-4-10-20-17(14)22-23-18;1-3-11(4-1)9-15-13-7-6-12(10-16(13)24-23-15)20-18-17-14(21-22-18)5-2-8-19-17/h2-10,12H,11H2,1H3,(H2,24,25,26,27);2-11H,12H2,1H3,(H2,23,24,25);4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,23);2,5-8,10-11H,1,3-4,9H2,(H2,20,21,22)
• InChIKey: BIWYFQSIAQPLDJ-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 345.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1421.60
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 157363368) is 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

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

The canonical SMILES for 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is CC(C)(C)CCc1noc2cc(Nc3[nH]nc4ncccc34)ccc12.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.Cn1ccc2cc(Cc3noc4cc(Nc5[nH]nc6nccnc56)ccc34)ccc21.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)n[nH]c2c1.

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

The InChIKey is BIWYFQSIAQPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O.C21H17N5O2.C19H21N5O.C18H17N5O/c1-29-9-6-14-10-13(2-5-18(14)29)11-17-16-4-3-15(12-19(16)30-28-17)25-22-20-21(26-27-22)24-8-7-23-20;1-13-4-2-5-15(10-13)27-12-18-16-8-7-14(11-19(16)28-26-18)23-21-20-17(24-25-21)6-3-9-22-20;1-19(2,3)9-8-15-13-7-6-12(11-16(13)25-24-15)21-18-14-5-4-10-20-17(14)22-23-18;1-3-11(4-1)9-15-13-7-6-12(10-16(13)24-23-15)20-18-17-14(21-22-18)5-2-8-19-17/h2-10,12H,11H2,1H3,(H2,24,25,26,27);2-11H,12H2,1H3,(H2,23,24,25);4-7,10-11H,8-9H2,1-3H3,(H2,20,21,22,23);2,5-8,10-11H,1,3-4,9H2,(H2,20,21,22).

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

3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 1421.60 g/mol, XLogP of 18.06, 17 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(3,3-dimethylbutyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-[(3-methylphenoxy)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 157363368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).