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

C25H27N3O — CID 118685564

IUPAC6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2
InChIInChI=1S/C25H27N3O/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/h8-10,29H,11H2,1-7H3
InChIKeyBYSIOBIPGWVFCQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.83
Rot. Bonds2

About 6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-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 118685564) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID118685564
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2
InChIInChI=1S/C25H27N3O/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/h8-10,29H,11H2,1-7H3
InChIKeyBYSIOBIPGWVFCQ-UHFFFAOYSA-N
XLogP4.83
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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 6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (CID 118685564) is 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 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 6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2.
What is the InChIKey of 6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is BYSIOBIPGWVFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/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/h8-10,29H,11H2,1-7H3.
What are the key properties of 6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-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 385.51 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 118685564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).