methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate

C18H19N3O2 — CID 170884111

IUPACmethyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1c(-c2ccc(C)cc2)nc2ccccn12
InChIInChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)17-15(11-14(19)18(22)23-2)21-10-4-3-5-16(21)20-17/h3-10,14H,11,19H2,1-2H3
InChIKeyNXYNNKUCFVBEJO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate

methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate (PubChem CID 170884111) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
PubChem CID170884111
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Namemethyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
SMILESCOC(=O)C(N)Cc1c(-c2ccc(C)cc2)nc2ccccn12
InChIInChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)17-15(11-14(19)18(22)23-2)21-10-4-3-5-16(21)20-17/h3-10,14H,11,19H2,1-2H3
InChIKeyNXYNNKUCFVBEJO-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170885569
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 156789846
N-(4-bromo-3-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036587
N-(5-chloro-2-methylphenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036573
N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
CID 166067979
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170882421
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate (CID 170884111) is methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate is COC(=O)C(N)Cc1c(-c2ccc(C)cc2)nc2ccccn12.
What is the InChIKey of methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
The InChIKey is NXYNNKUCFVBEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-6-8-13(9-7-12)17-15(11-14(19)18(22)23-2)21-10-4-3-5-16(21)20-17/h3-10,14H,11,19H2,1-2H3.
What are the key properties of methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate has a molecular weight of 309.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate is sourced from PubChem (CID 170884111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).