6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

C19H17N7O — CID 89149334

IUPAC6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN1CC(c2ccc3ncc(Cc4ccc5ncc(C=O)n5c4)n3n2)C=N1
InChIInChI=1S/C19H17N7O/c1-24-11-14(7-22-24)17-3-5-19-21-8-15(26(19)23-17)6-13-2-4-18-20-9-16(12-27)25(18)10-13/h2-5,7-10,12,14H,6,11H2,1H3
InChIKeyCSSJVIJRAKMBQW-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.80
Rot. Bonds4

About 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde

6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 89149334) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID89149334
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN1CC(c2ccc3ncc(Cc4ccc5ncc(C=O)n5c4)n3n2)C=N1
InChIInChI=1S/C19H17N7O/c1-24-11-14(7-22-24)17-3-5-19-21-8-15(26(19)23-17)6-13-2-4-18-20-9-16(12-27)25(18)10-13/h2-5,7-10,12,14H,6,11H2,1H3
InChIKeyCSSJVIJRAKMBQW-UHFFFAOYSA-N
XLogP1.80
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 89149334) is 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is CN1CC(c2ccc3ncc(Cc4ccc5ncc(C=O)n5c4)n3n2)C=N1.
What is the InChIKey of 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is CSSJVIJRAKMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-24-11-14(7-22-24)17-3-5-19-21-8-15(26(19)23-17)6-13-2-4-18-20-9-16(12-27)25(18)10-13/h2-5,7-10,12,14H,6,11H2,1H3.
What are the key properties of 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde?
6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 359.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2-methyl-3,4-dihydropyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 89149334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).