2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde

C22H22N2O — CID 123810534

IUPAC2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde
SMILESO=CCc1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C22H22N2O/c25-13-11-16-7-9-18(10-8-16)20(14-17-4-1-2-5-17)21-15-19-6-3-12-23-22(19)24-21/h3,6-10,12-15,17H,1-2,4-5,11H2,(H,23,24)
InChIKeyAJFZULGHNIBMBA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.93
Rot. Bonds5

About 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde

2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde (PubChem CID 123810534) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde
PubChem CID123810534
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde
SMILESO=CCc1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cc1
InChIInChI=1S/C22H22N2O/c25-13-11-16-7-9-18(10-8-16)20(14-17-4-1-2-5-17)21-15-19-6-3-12-23-22(19)24-21/h3,6-10,12-15,17H,1-2,4-5,11H2,(H,23,24)
InChIKeyAJFZULGHNIBMBA-UHFFFAOYSA-N
XLogP4.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline
CID 67227939
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120
2-[2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228582
2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228581
2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228275
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
2-[(Z)-3,3-dimethyl-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229174
molecular hydrogen;1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 156715490
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 122648492
2-quinolin-7-ylacetaldehyde
CID 22630864
N-[(4-fluorophenyl)methyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66908166
2,4-bis[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]pentan-3-one
CID 151469768

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde?
The IUPAC name of 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde (CID 123810534) is 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde.
What is the SMILES notation for 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde?
The canonical SMILES for 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde is O=CCc1ccc(C(=CC2CCCC2)c2cc3cccnc3[nH]2)cc1.
What is the InChIKey of 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde?
The InChIKey is AJFZULGHNIBMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-13-11-16-7-9-18(10-8-16)20(14-17-4-1-2-5-17)21-15-19-6-3-12-23-22(19)24-21/h3,6-10,12-15,17H,1-2,4-5,11H2,(H,23,24).
What are the key properties of 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde?
2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde has a molecular weight of 330.43 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde is sourced from PubChem (CID 123810534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).