tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate

C20H22N2O3 — CID 155587102

IUPACtert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)c2nccn12
InChIInChI=1S/C20H22N2O3/c1-20(2,3)25-18(23)13-16-9-10-17(19-21-11-12-22(16)19)24-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyNPDWQSRZKGMRRT-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate

tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate (PubChem CID 155587102) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate
PubChem CID155587102
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nametert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)c2nccn12
InChIInChI=1S/C20H22N2O3/c1-20(2,3)25-18(23)13-16-9-10-17(19-21-11-12-22(16)19)24-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3
InChIKeyNPDWQSRZKGMRRT-UHFFFAOYSA-N
XLogP3.80
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate
CID 155587149
ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetyl]amino]heptanedioate
CID 164941106
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
tert-butyl 4-bromo-7-phenylmethoxyindole-1-carboxylate
CID 171703218
tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate
CID 67615037
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
tert-butyl 2-[3-methoxy-4-[(2-phenylmethoxyphenyl)carbamoylamino]phenyl]acetate
CID 23511829
tert-butyl 2-oxo-1-[2-(2-phenylmethoxyphenyl)ethyl]pyridine-3-carboxylate
CID 67658914
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
tert-butyl 4-methoxy-5-phenylmethoxyindole-1-carboxylate
CID 58020630
(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)methanamine
CID 82056314
tert-butyl 2-[2-[(3-bromo-5-methylphenyl)methoxy]phenyl]acetate
CID 121354476

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate?
The IUPAC name of tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate (CID 155587102) is tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate.
What is the SMILES notation for tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate?
The canonical SMILES for tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate is CC(C)(C)OC(=O)Cc1ccc(OCc2ccccc2)c2nccn12.
What is the InChIKey of tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate?
The InChIKey is NPDWQSRZKGMRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,3)25-18(23)13-16-9-10-17(19-21-11-12-22(16)19)24-14-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3.
What are the key properties of tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate?
tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate has a molecular weight of 338.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate is sourced from PubChem (CID 155587102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).