propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate

C22H25N3O4 — CID 42920387

IUPACpropan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)C)NC(=O)c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)29-21(26)12-18(16-5-7-17(28-4)8-6-16)24-22(27)19-13-25-10-9-15(3)11-20(25)23-19/h5-11,13-14,18H,12H2,1-4H3,(H,24,27)
InChIKeyLXSBGGAIQGPIKS-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.46
Rot. Bonds7

About propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate

propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate (PubChem CID 42920387) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
PubChem CID42920387
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namepropan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate
SMILESCOc1ccc(C(CC(=O)OC(C)C)NC(=O)c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C22H25N3O4/c1-14(2)29-21(26)12-18(16-5-7-17(28-4)8-6-16)24-22(27)19-13-25-10-9-15(3)11-20(25)23-19/h5-11,13-14,18H,12H2,1-4H3,(H,24,27)
InChIKeyLXSBGGAIQGPIKS-UHFFFAOYSA-N
XLogP3.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 25388515
N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 94169651
N-[(2S)-butan-2-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 34674868
(2S,3S)-3-methyl-2-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]pentanoic acid
CID 119194403
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 40972028
3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 71942406
propan-2-yl 3-[[3-(carbamoylamino)-3-(3-methylphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 42953375
N-(2,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 1172222
propan-2-yl 3-(4-methoxyphenyl)-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 24516785
N-(1-hydroxy-3,3-dimethylbutan-2-yl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 175305720
N-[1-(4-methoxyphenyl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051433
7-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46655437

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate (CID 42920387) is propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate is COc1ccc(C(CC(=O)OC(C)C)NC(=O)c2cn3ccc(C)cc3n2)cc1.
What is the InChIKey of propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate?
The InChIKey is LXSBGGAIQGPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14(2)29-21(26)12-18(16-5-7-17(28-4)8-6-16)24-22(27)19-13-25-10-9-15(3)11-20(25)23-19/h5-11,13-14,18H,12H2,1-4H3,(H,24,27).
What are the key properties of propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate?
propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate has a molecular weight of 395.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(4-methoxyphenyl)-3-[(7-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 42920387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).