2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile

C107H106N12O13 — CID 159858083

IUPAC2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile
SMILESCC(C)(O)c1ccc(-c2cc3c(-c4cc(C#N)c(OC5CCOCC5)cn4)cccc3[nH]2)cc1.COC(C)(C)c1ccc(-c2cc3c(-c4cc(C#N)c(OC5CCOCC5)cn4)cccc3[nH]2)cc1.N#Cc1cc(-c2cccc3[nH]c(C(=O)N4CCCC4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(C(=O)N4CCOCC4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C29H29N3O3.C28H27N3O3.C25H25N3O4.C25H25N3O3/c1-29(2,33-3)21-9-7-19(8-10-21)26-16-24-23(5-4-6-25(24)32-26)27-15-20(17-30)28(18-31-27)35-22-11-13-34-14-12-22;1-28(2,32)20-8-6-18(7-9-20)25-15-23-22(4-3-5-24(23)31-25)26-14-19(16-29)27(17-30-26)34-21-10-12-33-13-11-21;26-16-18-14-17(4-5-24(18)32-19-6-10-30-11-7-19)20-2-1-3-22-21(20)15-23(27-22)25(29)28-8-12-31-13-9-28;26-16-18-14-17(6-7-24(18)31-19-8-12-30-13-9-19)20-4-3-5-22-21(20)15-23(27-22)25(29)28-10-1-2-11-28/h4-10,15-16,18,22,32H,11-14H2,1-3H3;3-9,14-15,17,21,31-32H,10-13H2,1-2H3;1-5,14-15,19,27H,6-13H2;3-7,14-15,19,27H,1-2,8-13H2
InChIKeyNQUBELBYFSUESI-UHFFFAOYSA-N
MW1768.10 g/mol
LogP20.00
Rot. Bonds19

About 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile

2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile (PubChem CID 159858083) has the molecular formula C107H106N12O13 and a molecular weight of 1768.10 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile
PubChem CID159858083
Molecular FormulaC107H106N12O13
Molecular Weight1768.10 g/mol
Exact Mass1766.80
IUPAC Name2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile
SMILESCC(C)(O)c1ccc(-c2cc3c(-c4cc(C#N)c(OC5CCOCC5)cn4)cccc3[nH]2)cc1.COC(C)(C)c1ccc(-c2cc3c(-c4cc(C#N)c(OC5CCOCC5)cn4)cccc3[nH]2)cc1.N#Cc1cc(-c2cccc3[nH]c(C(=O)N4CCCC4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(C(=O)N4CCOCC4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C29H29N3O3.C28H27N3O3.C25H25N3O4.C25H25N3O3/c1-29(2,33-3)21-9-7-19(8-10-21)26-16-24-23(5-4-6-25(24)32-26)27-15-20(17-30)28(18-31-27)35-22-11-13-34-14-12-22;1-28(2,32)20-8-6-18(7-9-20)25-15-23-22(4-3-5-24(23)31-25)26-14-19(16-29)27(17-30-26)34-21-10-12-33-13-11-21;26-16-18-14-17(4-5-24(18)32-19-6-10-30-11-7-19)20-2-1-3-22-21(20)15-23(27-22)25(29)28-8-12-31-13-9-28;26-16-18-14-17(6-7-24(18)31-19-8-12-30-13-9-19)20-4-3-5-22-21(20)15-23(27-22)25(29)28-10-1-2-11-28/h4-10,15-16,18,22,32H,11-14H2,1-3H3;3-9,14-15,17,21,31-32H,10-13H2,1-2H3;1-5,14-15,19,27H,6-13H2;3-7,14-15,19,27H,1-2,8-13H2
InChIKeyNQUBELBYFSUESI-UHFFFAOYSA-N
XLogP20.00
TPSA337.25 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.10
LogP ≤ 520.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile?
The IUPAC name of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile (CID 159858083) is 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile.
What is the SMILES notation for 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile?
The canonical SMILES for 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile is CC(C)(O)c1ccc(-c2cc3c(-c4cc(C#N)c(OC5CCOCC5)cn4)cccc3[nH]2)cc1.COC(C)(C)c1ccc(-c2cc3c(-c4cc(C#N)c(OC5CCOCC5)cn4)cccc3[nH]2)cc1.N#Cc1cc(-c2cccc3[nH]c(C(=O)N4CCCC4)cc23)ccc1OC1CCOCC1.N#Cc1cc(-c2cccc3[nH]c(C(=O)N4CCOCC4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile?
The InChIKey is NQUBELBYFSUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3.C28H27N3O3.C25H25N3O4.C25H25N3O3/c1-29(2,33-3)21-9-7-19(8-10-21)26-16-24-23(5-4-6-25(24)32-26)27-15-20(17-30)28(18-31-27)35-22-11-13-34-14-12-22;1-28(2,32)20-8-6-18(7-9-20)25-15-23-22(4-3-5-24(23)31-25)26-14-19(16-29)27(17-30-26)34-21-10-12-33-13-11-21;26-16-18-14-17(4-5-24(18)32-19-6-10-30-11-7-19)20-2-1-3-22-21(20)15-23(27-22)25(29)28-8-12-31-13-9-28;26-16-18-14-17(6-7-24(18)31-19-8-12-30-13-9-19)20-4-3-5-22-21(20)15-23(27-22)25(29)28-10-1-2-11-28/h4-10,15-16,18,22,32H,11-14H2,1-3H3;3-9,14-15,17,21,31-32H,10-13H2,1-2H3;1-5,14-15,19,27H,6-13H2;3-7,14-15,19,27H,1-2,8-13H2.
What are the key properties of 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile?
2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile has a molecular weight of 1768.10 g/mol, XLogP of 20.00, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;2-[2-[4-(2-methoxypropan-2-yl)phenyl]-1H-indol-4-yl]-5-(oxan-4-yloxy)pyridine-4-carbonitrile;5-[2-(morpholine-4-carbonyl)-1H-indol-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-[2-(pyrrolidine-1-carbonyl)-1H-indol-4-yl]benzonitrile is sourced from PubChem (CID 159858083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).