5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile

C104H88N14O11S — CID 159909828

About 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile

5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile (PubChem CID 159909828) has the molecular formula C104H88N14O11S and a molecular weight of 1742.00 g/mol. Its IUPAC name is 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile
• PubChem CID: 159909828
• Molecular Formula: C104H88N14O11S
• Molecular Weight: 1742.00 g/mol
• Exact Mass: 1740.65
• IUPAC Name: 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile
• SMILES: Cc1ncc(-c2cc3c(-c4ccc(OC5CCOCC5)c(C#N)c4)cccc3[nH]2)s1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)OCC(=O)N5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1
• InChI: InChI=1S/C28H23N3O4.C28H23N3O3.C24H21N5O2.C24H21N3O2S/c29-15-19-12-17(5-7-26(19)35-20-8-10-33-11-9-20)21-2-1-3-23-22(21)14-25(30-23)18-4-6-24-27(13-18)34-16-28(32)31-24;29-15-20-12-17(6-7-27(20)34-21-8-10-33-11-9-21)22-2-1-3-25-24(22)14-26(31-25)18-4-5-19-16-30-28(32)23(19)13-18;25-12-16-10-15(4-5-23(16)31-17-6-8-30-9-7-17)18-2-1-3-20-19(18)11-21(28-20)22-13-27-14-24(26)29-22;1-15-26-14-24(30-15)22-12-20-19(3-2-4-21(20)27-22)16-5-6-23(17(11-16)13-25)29-18-7-9-28-10-8-18/h1-7,12-14,20,30H,8-11,16H2,(H,31,32);1-7,12-14,21,31H,8-11,16H2,(H,30,32);1-5,10-11,13-14,17,28H,6-9H2,(H2,26,29);2-6,11-12,14,18,27H,7-10H2,1H3
• InChIKey: NXAVGFKCUGMWIC-UHFFFAOYSA-N
• XLogP: 20.44
• TPSA: 364.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1742.00
LogP ≤ 5	20.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile?

The IUPAC name of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile (CID 159909828) is 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile.

What is the SMILES notation for 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile?

The canonical SMILES for 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile is Cc1ncc(-c2cc3c(-c4ccc(OC5CCOCC5)c(C#N)c4)cccc3[nH]2)s1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)OCC(=O)N5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1.

What is the InChIKey of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile?

The InChIKey is NXAVGFKCUGMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4.C28H23N3O3.C24H21N5O2.C24H21N3O2S/c29-15-19-12-17(5-7-26(19)35-20-8-10-33-11-9-20)21-2-1-3-23-22(21)14-25(30-23)18-4-6-24-27(13-18)34-16-28(32)31-24;29-15-20-12-17(6-7-27(20)34-21-8-10-33-11-9-21)22-2-1-3-25-24(22)14-26(31-25)18-4-5-19-16-30-28(32)23(19)13-18;25-12-16-10-15(4-5-23(16)31-17-6-8-30-9-7-17)18-2-1-3-20-19(18)11-21(28-20)22-13-27-14-24(26)29-22;1-15-26-14-24(30-15)22-12-20-19(3-2-4-21(20)27-22)16-5-6-23(17(11-16)13-25)29-18-7-9-28-10-8-18/h1-7,12-14,20,30H,8-11,16H2,(H,31,32);1-7,12-14,21,31H,8-11,16H2,(H,30,32);1-5,10-11,13-14,17,28H,6-9H2,(H2,26,29);2-6,11-12,14,18,27H,7-10H2,1H3.

What are the key properties of 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile?

5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile has a molecular weight of 1742.00 g/mol, XLogP of 20.44, 16 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(6-aminopyrazin-2-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(2-methyl-1,3-thiazol-5-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-[2-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-indol-4-yl]benzonitrile is sourced from PubChem (CID 159909828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).