ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate

C24H29N3O3 — CID 3983892

IUPACethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(C2CCCCC2)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C24H29N3O3/c1-2-29-21(28)16-25-24-22(19-12-7-4-8-13-19)26-23-20(14-9-15-27(23)24)30-17-18-10-5-3-6-11-18/h3,5-6,9-11,14-15,19,25H,2,4,7-8,12-13,16-17H2,1H3
InChIKeyAWCZFUTWDKSUBT-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.94
Rot. Bonds8

About ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate

ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate (PubChem CID 3983892) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
PubChem CID3983892
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Nameethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(C2CCCCC2)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C24H29N3O3/c1-2-29-21(28)16-25-24-22(19-12-7-4-8-13-19)26-23-20(14-9-15-27(23)24)30-17-18-10-5-3-6-11-18/h3,5-6,9-11,14-15,19,25H,2,4,7-8,12-13,16-17H2,1H3
InChIKeyAWCZFUTWDKSUBT-UHFFFAOYSA-N
XLogP4.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate with MolForge

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Related Compounds

2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
CID 22591926
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
N-cyclohexyl-N-(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)acetamide
CID 22591916
N-cyclohexyl-2-(furan-2-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3472024
3-cyclohexyl-3-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-propan-2-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
CID 23959823
2-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 57261502
N-benzyl-2-(2-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3532130
N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3619073
N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 4031858
ethyl 2-(4-phenylmethoxyanilino)acetate
CID 3652798
2-[3-(cycloheptylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10766033
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate (CID 3983892) is ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate is CCOC(=O)CNc1c(C2CCCCC2)nc2c(OCc3ccccc3)cccn12.
What is the InChIKey of ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The InChIKey is AWCZFUTWDKSUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-2-29-21(28)16-25-24-22(19-12-7-4-8-13-19)26-23-20(14-9-15-27(23)24)30-17-18-10-5-3-6-11-18/h3,5-6,9-11,14-15,19,25H,2,4,7-8,12-13,16-17H2,1H3.
What are the key properties of ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate?
ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate has a molecular weight of 407.51 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate is sourced from PubChem (CID 3983892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).