[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate

C26H25N3O4 — CID 42742883

IUPAC[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
SMILESCCOC(=O)CNc1c(-c2cccc(OC(=O)Cc3ccccc3)c2)nc2cc(C)ccn12
InChIInChI=1S/C26H25N3O4/c1-3-32-24(31)17-27-26-25(28-22-14-18(2)12-13-29(22)26)20-10-7-11-21(16-20)33-23(30)15-19-8-5-4-6-9-19/h4-14,16,27H,3,15,17H2,1-2H3
InChIKeyNGBKQPCJYKKFKH-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.43
Rot. Bonds8

About [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate

[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate (PubChem CID 42742883) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
PubChem CID42742883
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Name[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate
SMILESCCOC(=O)CNc1c(-c2cccc(OC(=O)Cc3ccccc3)c2)nc2cc(C)ccn12
InChIInChI=1S/C26H25N3O4/c1-3-32-24(31)17-27-26-25(28-22-14-18(2)12-13-29(22)26)20-10-7-11-21(16-20)33-23(30)15-19-8-5-4-6-9-19/h4-14,16,27H,3,15,17H2,1-2H3
InChIKeyNGBKQPCJYKKFKH-UHFFFAOYSA-N
XLogP4.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate?
The IUPAC name of [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate (CID 42742883) is [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate.
What is the SMILES notation for [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate?
The canonical SMILES for [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate is CCOC(=O)CNc1c(-c2cccc(OC(=O)Cc3ccccc3)c2)nc2cc(C)ccn12.
What is the InChIKey of [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate?
The InChIKey is NGBKQPCJYKKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-3-32-24(31)17-27-26-25(28-22-14-18(2)12-13-29(22)26)20-10-7-11-21(16-20)33-23(30)15-19-8-5-4-6-9-19/h4-14,16,27H,3,15,17H2,1-2H3.
What are the key properties of [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate?
[3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate has a molecular weight of 443.50 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(2-ethoxy-2-oxoethyl)amino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylacetate is sourced from PubChem (CID 42742883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).