1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde

C19H21N5O — CID 89494482

IUPAC1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde
SMILESCCN1CCN(c2ccc(-n3ncc4ccc(C=O)nc43)cc2)CC1
InChIInChI=1S/C19H21N5O/c1-2-22-9-11-23(12-10-22)17-5-7-18(8-6-17)24-19-15(13-20-24)3-4-16(14-25)21-19/h3-8,13-14H,2,9-12H2,1H3
InChIKeyTUTDKWMEEUCNFF-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.37
Rot. Bonds4

About 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde

1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde (PubChem CID 89494482) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde
PubChem CID89494482
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde
SMILESCCN1CCN(c2ccc(-n3ncc4ccc(C=O)nc43)cc2)CC1
InChIInChI=1S/C19H21N5O/c1-2-22-9-11-23(12-10-22)17-5-7-18(8-6-17)24-19-15(13-20-24)3-4-16(14-25)21-19/h3-8,13-14H,2,9-12H2,1H3
InChIKeyTUTDKWMEEUCNFF-UHFFFAOYSA-N
XLogP2.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde (CID 89494482) is 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde is CCN1CCN(c2ccc(-n3ncc4ccc(C=O)nc43)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde?
The InChIKey is TUTDKWMEEUCNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-22-9-11-23(12-10-22)17-5-7-18(8-6-17)24-19-15(13-20-24)3-4-16(14-25)21-19/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde?
1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde has a molecular weight of 335.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 89494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).