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

C24H25N3O — CID 118685566

IUPAC6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(C)c2c(ccn2C)c1C(C)(O)C1=Cc2c(nc(C)c(C#N)c2C)C1
InChIInChI=1S/C24H25N3O/c1-13-9-14(2)23-18(7-8-27(23)6)22(13)24(5,28)17-10-19-15(3)20(12-25)16(4)26-21(19)11-17/h7-10,28H,11H2,1-6H3
InChIKeyLMSSTIGBDFUFEC-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.53
Rot. Bonds2

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

6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 118685566) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID118685566
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1cc(C)c2c(ccn2C)c1C(C)(O)C1=Cc2c(nc(C)c(C#N)c2C)C1
InChIInChI=1S/C24H25N3O/c1-13-9-14(2)23-18(7-8-27(23)6)22(13)24(5,28)17-10-19-15(3)20(12-25)16(4)26-21(19)11-17/h7-10,28H,11H2,1-6H3
InChIKeyLMSSTIGBDFUFEC-UHFFFAOYSA-N
XLogP4.53
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.53
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-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (CID 118685566) is 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is Cc1cc(C)c2c(ccn2C)c1C(C)(O)C1=Cc2c(nc(C)c(C#N)c2C)C1.
What is the InChIKey of 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is LMSSTIGBDFUFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-13-9-14(2)23-18(7-8-27(23)6)22(13)24(5,28)17-10-19-15(3)20(12-25)16(4)26-21(19)11-17/h7-10,28H,11H2,1-6H3.
What are the key properties of 6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?
6-[1-hydroxy-1-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 371.48 g/mol, XLogP of 4.53, 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-(1,5,7-trimethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 118685566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).