6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

C17H13N9O — CID 53262517

IUPAC6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncc(C=O)n5c4)c3n2)cn1
InChIInChI=1S/C17H13N9O/c1-24-9-12(4-20-24)14-6-19-16-17(21-14)26(23-22-16)8-11-2-3-15-18-5-13(10-27)25(15)7-11/h2-7,9-10H,8H2,1H3
InChIKeyJQMWTIGQSZECQP-UHFFFAOYSA-N
MW359.35 g/mol
LogP1.13
Rot. Bonds4

About 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 53262517) has the molecular formula C17H13N9O and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID53262517
Molecular FormulaC17H13N9O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncc(C=O)n5c4)c3n2)cn1
InChIInChI=1S/C17H13N9O/c1-24-9-12(4-20-24)14-6-19-16-17(21-14)26(23-22-16)8-11-2-3-15-18-5-13(10-27)25(15)7-11/h2-7,9-10H,8H2,1H3
InChIKeyJQMWTIGQSZECQP-UHFFFAOYSA-N
XLogP1.13
TPSA108.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-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 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 53262517) is 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is Cn1cc(-c2cnc3nnn(Cc4ccc5ncc(C=O)n5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is JQMWTIGQSZECQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N9O/c1-24-9-12(4-20-24)14-6-19-16-17(21-14)26(23-22-16)8-11-2-3-15-18-5-13(10-27)25(15)7-11/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 359.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 53262517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).