6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine

C22H23N5O — CID 145046241

IUPAC6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine
SMILESCCOc1cc(-c2c(-c3cc(C4=CCCN=N4)ccn3)ncn2C)ccc1C
InChIInChI=1S/C22H23N5O/c1-4-28-20-13-17(8-7-15(20)2)22-21(24-14-27(22)3)19-12-16(9-11-23-19)18-6-5-10-25-26-18/h6-9,11-14H,4-5,10H2,1-3H3
InChIKeyZTOQMFZNCOUNFE-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.05
Rot. Bonds5

About 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine

6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine (PubChem CID 145046241) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine.

Molecular Properties

Compound Name6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine
PubChem CID145046241
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine
SMILESCCOc1cc(-c2c(-c3cc(C4=CCCN=N4)ccn3)ncn2C)ccc1C
InChIInChI=1S/C22H23N5O/c1-4-28-20-13-17(8-7-15(20)2)22-21(24-14-27(22)3)19-12-16(9-11-23-19)18-6-5-10-25-26-18/h6-9,11-14H,4-5,10H2,1-3H3
InChIKeyZTOQMFZNCOUNFE-UHFFFAOYSA-N
XLogP5.05
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine?
The IUPAC name of 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine (CID 145046241) is 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine.
What is the SMILES notation for 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine?
The canonical SMILES for 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine is CCOc1cc(-c2c(-c3cc(C4=CCCN=N4)ccn3)ncn2C)ccc1C.
What is the InChIKey of 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine?
The InChIKey is ZTOQMFZNCOUNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-4-28-20-13-17(8-7-15(20)2)22-21(24-14-27(22)3)19-12-16(9-11-23-19)18-6-5-10-25-26-18/h6-9,11-14H,4-5,10H2,1-3H3.
What are the key properties of 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine?
6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine has a molecular weight of 373.46 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(3-ethoxy-4-methylphenyl)-1-methylimidazol-4-yl]-4-pyridinyl]-3,4-dihydropyridazine is sourced from PubChem (CID 145046241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).