4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde

C21H19N7O — CID 174716204

IUPAC4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde
SMILESO=CC1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCN1
InChIInChI=1S/C21H19N7O/c29-13-15-12-28(8-7-23-15)20-5-1-4-17(25-20)21-16-9-18(14-3-2-6-22-10-14)24-11-19(16)26-27-21/h1-6,9-11,13,15,23H,7-8,12H2,(H,26,27)
InChIKeyXSJIKCOCVBDEDT-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.06
Rot. Bonds4

About 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde

4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde (PubChem CID 174716204) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde.

Molecular Properties

Compound Name4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde
PubChem CID174716204
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde
SMILESO=CC1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCN1
InChIInChI=1S/C21H19N7O/c29-13-15-12-28(8-7-23-15)20-5-1-4-17(25-20)21-16-9-18(14-3-2-6-22-10-14)24-11-19(16)26-27-21/h1-6,9-11,13,15,23H,7-8,12H2,(H,26,27)
InChIKeyXSJIKCOCVBDEDT-UHFFFAOYSA-N
XLogP2.06
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-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 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde?
The IUPAC name of 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde (CID 174716204) is 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde.
What is the SMILES notation for 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde?
The canonical SMILES for 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde is O=CC1CN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CCN1.
What is the InChIKey of 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde?
The InChIKey is XSJIKCOCVBDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-13-15-12-28(8-7-23-15)20-5-1-4-17(25-20)21-16-9-18(14-3-2-6-22-10-14)24-11-19(16)26-27-21/h1-6,9-11,13,15,23H,7-8,12H2,(H,26,27).
What are the key properties of 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde?
4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde has a molecular weight of 385.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperazine-2-carbaldehyde is sourced from PubChem (CID 174716204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).