5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile

C105H96N12O11 — CID 159534314

About 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile

5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile (PubChem CID 159534314) has the molecular formula C105H96N12O11 and a molecular weight of 1702.00 g/mol. Its IUPAC name is 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile
• PubChem CID: 159534314
• Molecular Formula: C105H96N12O11
• Molecular Weight: 1702.00 g/mol
• Exact Mass: 1700.73
• IUPAC Name: 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile
• SMILES: N#Cc1cc(-c2cccc3[nH]c(-c4ccc(C5(O)COC5)cc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cccnc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5COC5)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2ccnc3c2C=C(C2=CCNCC2)C3)ccc1OC1CCOCC1
• InChI: InChI=1S/C29H26N2O4.C26H24N4O3.C25H21N3O2.C25H25N3O2/c30-16-21-14-20(6-9-28(21)35-23-10-12-33-13-11-23)24-2-1-3-26-25(24)15-27(31-26)19-4-7-22(8-5-19)29(32)17-34-18-29;27-12-18-10-17(4-5-26(18)33-21-6-8-31-9-7-21)22-2-1-3-24-23(22)11-25(29-24)19-13-28-30(14-19)20-15-32-16-20;26-15-19-13-17(6-7-25(19)30-20-8-11-29-12-9-20)21-4-1-5-23-22(21)14-24(28-23)18-3-2-10-27-16-18;26-16-20-13-18(1-2-25(20)30-21-6-11-29-12-7-21)22-5-10-28-24-15-19(14-23(22)24)17-3-8-27-9-4-17/h1-9,14-15,23,31-32H,10-13,17-18H2;1-5,10-11,13-14,20-21,29H,6-9,15-16H2;1-7,10,13-14,16,20,28H,8-9,11-12H2;1-3,5,10,13-14,21,27H,4,6-9,11-12,15H2
• InChIKey: MDJWUNWKTKVRQW-UHFFFAOYSA-N
• XLogP: 19.21
• TPSA: 310.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.00
LogP ≤ 5	19.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile?

The IUPAC name of 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile (CID 159534314) is 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile.

What is the SMILES notation for 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile?

The canonical SMILES for 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile is N#Cc1cc(-c2cccc3[nH]c(-c4ccc(C5(O)COC5)cc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cccnc4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(-c4cnn(C5COC5)c4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2ccnc3c2C=C(C2=CCNCC2)C3)ccc1OC1CCOCC1.

What is the InChIKey of 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile?

The InChIKey is MDJWUNWKTKVRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4.C26H24N4O3.C25H21N3O2.C25H25N3O2/c30-16-21-14-20(6-9-28(21)35-23-10-12-33-13-11-23)24-2-1-3-26-25(24)15-27(31-26)19-4-7-22(8-5-19)29(32)17-34-18-29;27-12-18-10-17(4-5-26(18)33-21-6-8-31-9-7-21)22-2-1-3-24-23(22)11-25(29-24)19-13-28-30(14-19)20-15-32-16-20;26-15-19-13-17(6-7-25(19)30-20-8-11-29-12-9-20)21-4-1-5-23-22(21)14-24(28-23)18-3-2-10-27-16-18;26-16-20-13-18(1-2-25(20)30-21-6-11-29-12-7-21)22-5-10-28-24-15-19(14-23(22)24)17-3-8-27-9-4-17/h1-9,14-15,23,31-32H,10-13,17-18H2;1-5,10-11,13-14,20-21,29H,6-9,15-16H2;1-7,10,13-14,16,20,28H,8-9,11-12H2;1-3,5,10,13-14,21,27H,4,6-9,11-12,15H2.

What are the key properties of 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile?

5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile has a molecular weight of 1702.00 g/mol, XLogP of 19.21, 18 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-(3-hydroxyoxetan-3-yl)phenyl]-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indol-4-yl]benzonitrile;2-(oxan-4-yloxy)-5-(2-pyridin-3-yl-1H-indol-4-yl)benzonitrile;2-(oxan-4-yloxy)-5-[6-(1,2,3,6-tetrahydropyridin-4-yl)-7H-cyclopenta[b]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 159534314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).