4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine

C24H22N4O3 — CID 131673385

IUPAC4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine
SMILESc1cc(-c2ccncc2)n2cc(C3CN(Cc4ccc5c(c4)OCO5)CCO3)nc2c1
InChIInChI=1S/C24H22N4O3/c1-2-20(18-6-8-25-9-7-18)28-14-19(26-24(28)3-1)23-15-27(10-11-29-23)13-17-4-5-21-22(12-17)31-16-30-21/h1-9,12,14,23H,10-11,13,15-16H2
InChIKeyHOLBKDAUEKJCAG-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.70
Rot. Bonds4

About 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine

4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine (PubChem CID 131673385) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine
PubChem CID131673385
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine
SMILESc1cc(-c2ccncc2)n2cc(C3CN(Cc4ccc5c(c4)OCO5)CCO3)nc2c1
InChIInChI=1S/C24H22N4O3/c1-2-20(18-6-8-25-9-7-18)28-14-19(26-24(28)3-1)23-15-27(10-11-29-23)13-17-4-5-21-22(12-17)31-16-30-21/h1-9,12,14,23H,10-11,13,15-16H2
InChIKeyHOLBKDAUEKJCAG-UHFFFAOYSA-N
XLogP3.70
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine with MolForge

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Related Compounds

cyclopropyl-[2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholin-4-yl]methanone
CID 131673388
4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2,6-dimethylpyrimidin-4-yl)morpholine
CID 110115909
4-(1,3-benzodioxol-5-ylmethyl)-2-(6-thiophen-2-yltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131671013
(2S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 124947302
4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155830800
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839179
2-[1-methyl-4-[(3-methylphenyl)methyl]piperazin-2-yl]-5-pyridin-4-ylimidazo[1,2-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155831070
2-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-1,3-benzothiazole
CID 75615082
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
1-(1,3-benzodioxol-5-ylmethyl)-2,2,3,3,5,5,6,6-octadeuterio-4-pyrimidin-2-ylpiperazine
CID 12804974
4-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]-5-(2-methylphenyl)-2-pyridin-4-ylpyrimidine
CID 45184772
2-(2,6-dimethylpyrimidin-4-yl)-4-(quinolin-6-ylmethyl)morpholine
CID 110115969

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine (CID 131673385) is 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine is c1cc(-c2ccncc2)n2cc(C3CN(Cc4ccc5c(c4)OCO5)CCO3)nc2c1.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine?
The InChIKey is HOLBKDAUEKJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-2-20(18-6-8-25-9-7-18)28-14-19(26-24(28)3-1)23-15-27(10-11-29-23)13-17-4-5-21-22(12-17)31-16-30-21/h1-9,12,14,23H,10-11,13,15-16H2.
What are the key properties of 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine?
4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine has a molecular weight of 414.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethyl)-2-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)morpholine is sourced from PubChem (CID 131673385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).