2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile

C50H52N6O — CID 158615664

IUPAC2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC=C(C1=Cc2c(nc(C)c(C#N)c2C)C1)c1c(C)c(C)c(C)c2c1ccn2C.Cc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2
InChIInChI=1S/C25H27N3O.C25H25N3/c1-13-14(2)23(19-8-9-28(7)24(19)15(13)3)25(6,29)18-10-20-16(4)21(12-26)17(5)27-22(20)11-18;1-13-14(2)24(20-8-9-28(7)25(20)15(13)3)16(4)19-10-21-17(5)22(12-26)18(6)27-23(21)11-19/h8-10,29H,11H2,1-7H3;8-10H,4,11H2,1-3,5-7H3
InChIKeyHXIWZMOYARMZNW-UHFFFAOYSA-N
MW753.01 g/mol
LogP10.47
Rot. Bonds4

About 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile

2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 158615664) has the molecular formula C50H52N6O and a molecular weight of 753.01 g/mol. Its IUPAC name is 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID158615664
Molecular FormulaC50H52N6O
Molecular Weight753.01 g/mol
Exact Mass752.42
IUPAC Name2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESC=C(C1=Cc2c(nc(C)c(C#N)c2C)C1)c1c(C)c(C)c(C)c2c1ccn2C.Cc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2
InChIInChI=1S/C25H27N3O.C25H25N3/c1-13-14(2)23(19-8-9-28(7)24(19)15(13)3)25(6,29)18-10-20-16(4)21(12-26)17(5)27-22(20)11-18;1-13-14(2)24(20-8-9-28(7)25(20)15(13)3)16(4)19-10-21-17(5)22(12-26)18(6)27-23(21)11-19/h8-10,29H,11H2,1-7H3;8-10H,4,11H2,1-3,5-7H3
InChIKeyHXIWZMOYARMZNW-UHFFFAOYSA-N
XLogP10.47
TPSA103.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.01
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile
CID 118685579
5,7-dimethyl-2-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-3H-pyrrolo[3,2-b]pyridine-6-carbonitrile
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2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
CID 159097342

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (CID 158615664) is 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is C=C(C1=Cc2c(nc(C)c(C#N)c2C)C1)c1c(C)c(C)c(C)c2c1ccn2C.Cc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2.
What is the InChIKey of 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is HXIWZMOYARMZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O.C25H25N3/c1-13-14(2)23(19-8-9-28(7)24(19)15(13)3)25(6,29)18-10-20-16(4)21(12-26)17(5)27-22(20)11-18;1-13-14(2)24(20-8-9-28(7)25(20)15(13)3)16(4)19-10-21-17(5)22(12-26)18(6)27-23(21)11-19/h8-10,29H,11H2,1-7H3;8-10H,4,11H2,1-3,5-7H3.
What are the key properties of 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 753.01 g/mol, XLogP of 10.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[1-(1,5,6,7-tetramethylindol-4-yl)ethenyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 158615664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).