5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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

C116H101FN12O13 — CID 159104412

IUPAC5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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
SMILESCC1(C)C(=O)Nc2cc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)cccc4[nH]3)ccc21.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)c(F)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)OCC(=O)N5)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C30H28FN3O3.C30H27N3O3.C28H23N3O4.C28H23N3O3/c31-26-17-21(4-6-29(26)34-10-14-36-15-11-34)28-18-25-24(2-1-3-27(25)33-28)20-5-7-30(22(16-20)19-32)37-23-8-12-35-13-9-23;1-30(2)24-8-6-19(15-27(24)33-29(30)34)26-16-23-22(4-3-5-25(23)32-26)18-7-9-28(20(14-18)17-31)36-21-10-12-35-13-11-21;29-15-19-12-17(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/h1-7,16-18,23,33H,8-15H2;3-9,14-16,21,32H,10-13H2,1-2H3,(H,33,34);1-7,12-14,20,30H,8-11,16H2,(H,31,32);1-7,12-14,21,31H,8-11,16H2,(H,30,32)
InChIKeyKDRSAEMAGSUABU-UHFFFAOYSA-N
MW1890.15 g/mol
LogP22.51
Rot. Bonds17

About 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 159104412) has the molecular formula C116H101FN12O13 and a molecular weight of 1890.15 g/mol. Its IUPAC name is 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 Name5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 CID159104412
Molecular FormulaC116H101FN12O13
Molecular Weight1890.15 g/mol
Exact Mass1888.76
IUPAC Name5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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
SMILESCC1(C)C(=O)Nc2cc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)cccc4[nH]3)ccc21.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)c(F)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)OCC(=O)N5)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C30H28FN3O3.C30H27N3O3.C28H23N3O4.C28H23N3O3/c31-26-17-21(4-6-29(26)34-10-14-36-15-11-34)28-18-25-24(2-1-3-27(25)33-28)20-5-7-30(22(16-20)19-32)37-23-8-12-35-13-9-23;1-30(2)24-8-6-19(15-27(24)33-29(30)34)26-16-23-22(4-3-5-25(23)32-26)18-7-9-28(20(14-18)17-31)36-21-10-12-35-13-11-21;29-15-19-12-17(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/h1-7,16-18,23,33H,8-15H2;3-9,14-16,21,32H,10-13H2,1-2H3,(H,33,34);1-7,12-14,20,30H,8-11,16H2,(H,31,32);1-7,12-14,21,31H,8-11,16H2,(H,30,32)
InChIKeyKDRSAEMAGSUABU-UHFFFAOYSA-N
XLogP22.51
TPSA341.16 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001890.15
LogP ≤ 522.51
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 159104412) is 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 CC1(C)C(=O)Nc2cc(-c3cc4c(-c5ccc(OC6CCOCC6)c(C#N)c5)cccc4[nH]3)ccc21.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)c(F)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)C(=O)NC5)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc5c(c4)OCC(=O)N5)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 KDRSAEMAGSUABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O3.C30H27N3O3.C28H23N3O4.C28H23N3O3/c31-26-17-21(4-6-29(26)34-10-14-36-15-11-34)28-18-25-24(2-1-3-27(25)33-28)20-5-7-30(22(16-20)19-32)37-23-8-12-35-13-9-23;1-30(2)24-8-6-19(15-27(24)33-29(30)34)26-16-23-22(4-3-5-25(23)32-26)18-7-9-28(20(14-18)17-31)36-21-10-12-35-13-11-21;29-15-19-12-17(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/h1-7,16-18,23,33H,8-15H2;3-9,14-16,21,32H,10-13H2,1-2H3,(H,33,34);1-7,12-14,20,30H,8-11,16H2,(H,31,32);1-7,12-14,21,31H,8-11,16H2,(H,30,32).
What are the key properties of 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 1890.15 g/mol, XLogP of 22.51, 17 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(3-fluoro-4-morpholin-4-ylphenyl)-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 159104412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).