imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate

C24H21N3O3 — CID 7151779

IUPACimidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate
SMILESO=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1cn2ccccc2n1
InChIInChI=1S/C24H21N3O3/c28-23(30-17-20-16-27-14-8-7-13-22(27)25-20)15-21(18-9-3-1-4-10-18)26-24(29)19-11-5-2-6-12-19/h1-14,16,21H,15,17H2,(H,26,29)/t21-/m1/s1
InChIKeyBLGXPRFTHCKTAK-OAQYLSRUSA-N
MW399.45 g/mol
LogP3.94
Rot. Bonds7

About imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate

imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate (PubChem CID 7151779) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate
PubChem CID7151779
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate
SMILESO=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1cn2ccccc2n1
InChIInChI=1S/C24H21N3O3/c28-23(30-17-20-16-27-14-8-7-13-22(27)25-20)15-21(18-9-3-1-4-10-18)26-24(29)19-11-5-2-6-12-19/h1-14,16,21H,15,17H2,(H,26,29)/t21-/m1/s1
InChIKeyBLGXPRFTHCKTAK-OAQYLSRUSA-N
XLogP3.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7151780
naphthalen-1-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7221887
1,3-benzothiazol-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7214705
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86894155
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
(2S)-2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 119360221
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-benzamido-3-phenylpropanoate
CID 55404439
(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
CID 111467271
[2-(2-acetylhydrazinyl)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate
CID 7214693
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate (CID 7151779) is imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate is O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate?
The InChIKey is BLGXPRFTHCKTAK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23(30-17-20-16-27-14-8-7-13-22(27)25-20)15-21(18-9-3-1-4-10-18)26-24(29)19-11-5-2-6-12-19/h1-14,16,21H,15,17H2,(H,26,29)/t21-/m1/s1.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate?
imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate has a molecular weight of 399.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl (3R)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 7151779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).