(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

C23H28N4O4 — CID 46957325

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(CN2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H28N4O4/c1-16-5-6-21-24-18(15-27(21)13-16)23(28)26-9-7-25(8-10-26)14-17-11-19(29-2)22(31-4)20(12-17)30-3/h5-6,11-13,15H,7-10,14H2,1-4H3
InChIKeyZRULXOGHEBOSLO-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.63
Rot. Bonds6

About (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 46957325) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID46957325
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(CN2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)cc(OC)c1OC
InChIInChI=1S/C23H28N4O4/c1-16-5-6-21-24-18(15-27(21)13-16)23(28)26-9-7-25(8-10-26)14-17-11-19(29-2)22(31-4)20(12-17)30-3/h5-6,11-13,15H,7-10,14H2,1-4H3
InChIKeyZRULXOGHEBOSLO-UHFFFAOYSA-N
XLogP2.63
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 46957325) is (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is COc1cc(CN2CCN(C(=O)c3cn4cc(C)ccc4n3)CC2)cc(OC)c1OC.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZRULXOGHEBOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-5-6-21-24-18(15-27(21)13-16)23(28)26-9-7-25(8-10-26)14-17-11-19(29-2)22(31-4)20(12-17)30-3/h5-6,11-13,15H,7-10,14H2,1-4H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone?
(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 424.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46957325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).