5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde

C19H16N6O3 — CID 46862383

IUPAC5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde
SMILESCCOc1nnc2nc(-c3ccc(OC)cc3)c(-c3cncc(C=O)c3)n2n1
InChIInChI=1S/C19H16N6O3/c1-3-28-19-23-22-18-21-16(13-4-6-15(27-2)7-5-13)17(25(18)24-19)14-8-12(11-26)9-20-10-14/h4-11H,3H2,1-2H3
InChIKeyNLPPRHBTSVOXBC-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.47
Rot. Bonds6

About 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde

5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde (PubChem CID 46862383) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde
PubChem CID46862383
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde
SMILESCCOc1nnc2nc(-c3ccc(OC)cc3)c(-c3cncc(C=O)c3)n2n1
InChIInChI=1S/C19H16N6O3/c1-3-28-19-23-22-18-21-16(13-4-6-15(27-2)7-5-13)17(25(18)24-19)14-8-12(11-26)9-20-10-14/h4-11H,3H2,1-2H3
InChIKeyNLPPRHBTSVOXBC-UHFFFAOYSA-N
XLogP2.47
TPSA104.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 113469448
5-(2,5-dimethoxyphenyl)pyridine-3-carbaldehyde
CID 112694200
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
5-(4-methoxyphenyl)-11,12-diphenyl-6-oxa-1,2,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaene
CID 634492
5-butoxypyridine-3-carbaldehyde
CID 89111461
3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 10268196
2-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 104818886
3-(4-methoxyphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266299
1-[6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-b][1,2,4,5]tetrazin-7-yl]ethanone
CID 134909719
3-(4-methoxyphenyl)-1-pyridin-4-ylpyrazole-4-carbaldehyde
CID 43543075
4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
CID 70307884
6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazine
CID 20549290

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde?
The IUPAC name of 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde (CID 46862383) is 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde is CCOc1nnc2nc(-c3ccc(OC)cc3)c(-c3cncc(C=O)c3)n2n1.
What is the InChIKey of 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde?
The InChIKey is NLPPRHBTSVOXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-3-28-19-23-22-18-21-16(13-4-6-15(27-2)7-5-13)17(25(18)24-19)14-8-12(11-26)9-20-10-14/h4-11H,3H2,1-2H3.
What are the key properties of 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde?
5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde has a molecular weight of 376.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethoxy-7-(4-methoxyphenyl)imidazo[1,2-b][1,2,4,5]tetrazin-6-yl]pyridine-3-carbaldehyde is sourced from PubChem (CID 46862383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).