[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

C22H26N4O3 — CID 37280226

IUPAC[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cn4c(C)cccc4n3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-16-5-4-6-21-23-19(15-26(16)21)22(27)25-11-9-24(10-12-25)14-17-13-18(28-2)7-8-20(17)29-3/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyYRBGMZZHJOPERB-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.62
Rot. Bonds5

About [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 37280226) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID37280226
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cn4c(C)cccc4n3)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-16-5-4-6-21-23-19(15-26(16)21)22(27)25-11-9-24(10-12-25)14-17-13-18(28-2)7-8-20(17)29-3/h4-8,13,15H,9-12,14H2,1-3H3
InChIKeyYRBGMZZHJOPERB-UHFFFAOYSA-N
XLogP2.62
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
1-benzofuran-2-yl-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 37351016
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
(5-methylimidazo[1,2-a]pyridin-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951738
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 49015474
[2-[[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42856393
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 37279499
(5-bromo-2-hydroxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 52892945
(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile
CID 37350895
3-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 37279964
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112844802

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 37280226) is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is COc1ccc(OC)c(CN2CCN(C(=O)c3cn4c(C)cccc4n3)CC2)c1.
What is the InChIKey of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is YRBGMZZHJOPERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-5-4-6-21-23-19(15-26(16)21)22(27)25-11-9-24(10-12-25)14-17-13-18(28-2)7-8-20(17)29-3/h4-8,13,15H,9-12,14H2,1-3H3.
What are the key properties of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 37280226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).