3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine

C95H92N26O6 — CID 158281579

IUPAC3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
SMILESCC(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)CC(C)(C)C.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)[nH]nc2n1.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)n[nH]c2c1.c1cnc2n[nH]c(Nc3ccc4c(CC5CCC5)noc4c3)c2c1
InChIInChI=1S/C21H17N5O2.C21H25N5O.2C18H17N5O.C17H16N6O/c1-13-4-2-5-15(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;1-13(12-21(2,3)4)10-17-15-8-7-14(11-18(15)27-26-17)23-20-19-16(24-25-20)6-5-9-22-19;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;1-3-11(4-1)9-15-13-7-6-12(10-16(13)24-23-15)20-18-14-5-2-8-19-17(14)21-22-18;1-2-10(3-1)8-13-12-5-4-11(9-14(12)24-23-13)20-17-15-16(21-22-17)19-7-6-18-15/h2-11H,12H2,1H3,(H2,23,24,25);5-9,11,13H,10,12H2,1-4H3,(H2,23,24,25);2,5-8,10-11H,1,3-4,9H2,(H2,20,21,22);2,5-8,10-11H,1,3-4,9H2,(H2,19,20,21,22);4-7,9-10H,1-3,8H2,(H2,19,20,21,22)
InChIKeyGKGWHLXIWQDYSN-UHFFFAOYSA-N
MW1693.96 g/mol
LogP22.14
Rot. Bonds22

About 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine

3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine (PubChem CID 158281579) has the molecular formula C95H92N26O6 and a molecular weight of 1693.96 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
PubChem CID158281579
Molecular FormulaC95H92N26O6
Molecular Weight1693.96 g/mol
Exact Mass1692.77
IUPAC Name3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
SMILESCC(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)CC(C)(C)C.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)[nH]nc2n1.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)n[nH]c2c1.c1cnc2n[nH]c(Nc3ccc4c(CC5CCC5)noc4c3)c2c1
InChIInChI=1S/C21H17N5O2.C21H25N5O.2C18H17N5O.C17H16N6O/c1-13-4-2-5-15(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;1-13(12-21(2,3)4)10-17-15-8-7-14(11-18(15)27-26-17)23-20-19-16(24-25-20)6-5-9-22-19;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;1-3-11(4-1)9-15-13-7-6-12(10-16(13)24-23-15)20-18-14-5-2-8-19-17(14)21-22-18;1-2-10(3-1)8-13-12-5-4-11(9-14(12)24-23-13)20-17-15-16(21-22-17)19-7-6-18-15/h2-11H,12H2,1H3,(H2,23,24,25);5-9,11,13H,10,12H2,1-4H3,(H2,23,24,25);2,5-8,10-11H,1,3-4,9H2,(H2,20,21,22);2,5-8,10-11H,1,3-4,9H2,(H2,19,20,21,22);4-7,9-10H,1-3,8H2,(H2,19,20,21,22)
InChIKeyGKGWHLXIWQDYSN-UHFFFAOYSA-N
XLogP22.14
TPSA420.27 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.96
LogP ≤ 522.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine (CID 158281579) is 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine is CC(Cc1noc2cc(Nc3n[nH]c4cccnc34)ccc12)CC(C)(C)C.Cc1cccc(OCc2noc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)[nH]nc2n1.c1cnc2c(Nc3ccc4c(CC5CCC5)noc4c3)n[nH]c2c1.c1cnc2n[nH]c(Nc3ccc4c(CC5CCC5)noc4c3)c2c1.
What is the InChIKey of 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine?
The InChIKey is GKGWHLXIWQDYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2.C21H25N5O.2C18H17N5O.C17H16N6O/c1-13-4-2-5-15(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;1-13(12-21(2,3)4)10-17-15-8-7-14(11-18(15)27-26-17)23-20-19-16(24-25-20)6-5-9-22-19;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;1-3-11(4-1)9-15-13-7-6-12(10-16(13)24-23-15)20-18-14-5-2-8-19-17(14)21-22-18;1-2-10(3-1)8-13-12-5-4-11(9-14(12)24-23-13)20-17-15-16(21-22-17)19-7-6-18-15/h2-11H,12H2,1H3,(H2,23,24,25);5-9,11,13H,10,12H2,1-4H3,(H2,23,24,25);2,5-8,10-11H,1,3-4,9H2,(H2,20,21,22);2,5-8,10-11H,1,3-4,9H2,(H2,19,20,21,22);4-7,9-10H,1-3,8H2,(H2,19,20,21,22).
What are the key properties of 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine?
3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine has a molecular weight of 1693.96 g/mol, XLogP of 22.14, 22 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclobutylmethyl)-N-(2H-pyrazolo[3,4-b]pyridin-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;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 158281579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).