1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine

C23H20N4O2 — CID 58164146

IUPAC1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESC=CC(C)n1c(C2COc3ccccc3O2)nc2ncc(-c3ccncc3)cc21
InChIInChI=1S/C23H20N4O2/c1-3-15(2)27-18-12-17(16-8-10-24-11-9-16)13-25-22(18)26-23(27)21-14-28-19-6-4-5-7-20(19)29-21/h3-13,15,21H,1,14H2,2H3
InChIKeyBZXHIOMKHFHBRH-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.75
Rot. Bonds4

About 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine

1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine (PubChem CID 58164146) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine
PubChem CID58164146
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine
SMILESC=CC(C)n1c(C2COc3ccccc3O2)nc2ncc(-c3ccncc3)cc21
InChIInChI=1S/C23H20N4O2/c1-3-15(2)27-18-12-17(16-8-10-24-11-9-16)13-25-22(18)26-23(27)21-14-28-19-6-4-5-7-20(19)29-21/h3-13,15,21H,1,14H2,2H3
InChIKeyBZXHIOMKHFHBRH-UHFFFAOYSA-N
XLogP4.75
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 58164103
1-(cyclopropylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylbenzimidazole
CID 46881968
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-3H-indole
CID 58164156
(2S)-2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-2-ylpropanamide
CID 41291816
4-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylthieno[2,3-d]pyrimidine
CID 133408319
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
CID 3308925
3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234074
3-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-fluoro-6-pyridin-4-ylbenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 117075411
3-[(4-bromophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazole
CID 42971415
3-[(3-chlorophenyl)methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazole
CID 42988299
3-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-6-(trifluoromethyl)pyridazine
CID 133434129
(2R)-N-(3-chlorophenyl)-2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40799428

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine (CID 58164146) is 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine is C=CC(C)n1c(C2COc3ccccc3O2)nc2ncc(-c3ccncc3)cc21.
What is the InChIKey of 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is BZXHIOMKHFHBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-3-15(2)27-18-12-17(16-8-10-24-11-9-16)13-25-22(18)26-23(27)21-14-28-19-6-4-5-7-20(19)29-21/h3-13,15,21H,1,14H2,2H3.
What are the key properties of 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine?
1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 384.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 58164146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).