5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile

C84H79N9O9 — CID 159318697

About 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile

5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile (PubChem CID 159318697) has the molecular formula C84H79N9O9 and a molecular weight of 1358.61 g/mol. Its IUPAC name is 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile
• PubChem CID: 159318697
• Molecular Formula: C84H79N9O9
• Molecular Weight: 1358.61 g/mol
• Exact Mass: 1357.60
• IUPAC Name: 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile
• SMILES: CC(C)(C)Oc1cc(-c2cc3c(-c4ccc(OC5CCOCC5)c(C#N)c4)cccc3[nH]2)ccn1.N#Cc1cc(-c2cccc3[nH]c(-c4cc[nH]c(=O)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1OC1CCCOC1
• InChI: InChI=1S/C30H29N3O3.C29H29N3O3.C25H21N3O3/c31-19-23-17-22(8-11-30(23)36-25-3-2-14-35-20-25)26-4-1-5-28-27(26)18-29(32-28)21-6-9-24(10-7-21)33-12-15-34-16-13-33;1-29(2,3)35-28-16-20(9-12-31-28)26-17-24-23(5-4-6-25(24)32-26)19-7-8-27(21(15-19)18-30)34-22-10-13-33-14-11-22;26-15-18-12-16(4-5-24(18)31-19-7-10-30-11-8-19)20-2-1-3-22-21(20)14-23(28-22)17-6-9-27-25(29)13-17/h1,4-11,17-18,25,32H,2-3,12-16,20H2;4-9,12,15-17,22,32H,10-11,13-14H2,1-3H3;1-6,9,12-14,19,28H,7-8,10-11H2,(H,27,29)
• InChIKey: LDLZWHVZISQEBY-UHFFFAOYSA-N
• XLogP: 16.89
• TPSA: 241.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.61
LogP ≤ 5	16.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile?

The IUPAC name of 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile (CID 159318697) is 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile.

What is the SMILES notation for 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile?

The canonical SMILES for 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile is CC(C)(C)Oc1cc(-c2cc3c(-c4ccc(OC5CCOCC5)c(C#N)c4)cccc3[nH]2)ccn1.N#Cc1cc(-c2cccc3[nH]c(-c4cc[nH]c(=O)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4ccc(N5CCOCC5)cc4)cc23)ccc1OC1CCCOC1.

What is the InChIKey of 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile?

The InChIKey is LDLZWHVZISQEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O3.C29H29N3O3.C25H21N3O3/c31-19-23-17-22(8-11-30(23)36-25-3-2-14-35-20-25)26-4-1-5-28-27(26)18-29(32-28)21-6-9-24(10-7-21)33-12-15-34-16-13-33;1-29(2,3)35-28-16-20(9-12-31-28)26-17-24-23(5-4-6-25(24)32-26)19-7-8-27(21(15-19)18-30)34-22-10-13-33-14-11-22;26-15-18-12-16(4-5-24(18)31-19-7-10-30-11-8-19)20-2-1-3-22-21(20)14-23(28-22)17-6-9-27-25(29)13-17/h1,4-11,17-18,25,32H,2-3,12-16,20H2;4-9,12,15-17,22,32H,10-11,13-14H2,1-3H3;1-6,9,12-14,19,28H,7-8,10-11H2,(H,27,29).

What are the key properties of 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile?

5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile has a molecular weight of 1358.61 g/mol, XLogP of 16.89, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(4-morpholin-4-ylphenyl)-1H-indol-4-yl]-2-(oxan-3-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(2-oxo-1H-pyridin-4-yl)-1H-indol-4-yl]benzonitrile is sourced from PubChem (CID 159318697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).