3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid

C21H20N6O4 — CID 123542175

IUPAC3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
SMILESCc1ccc(-c2noc(CN)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)O)cn12
InChIInChI=1S/C21H20N6O4/c1-12-2-5-14(20-25-18(9-22)31-26-20)8-15(12)24-21(30)16-10-23-17-6-3-13(11-27(16)17)4-7-19(28)29/h2-3,5-6,8,10-11H,4,7,9,22H2,1H3,(H,24,30)(H,28,29)
InChIKeyIDXCOYZCBXSRPG-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.42
Rot. Bonds7

About 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid

3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid (PubChem CID 123542175) has the molecular formula C21H20N6O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
PubChem CID123542175
Molecular FormulaC21H20N6O4
Molecular Weight420.43 g/mol
Exact Mass420.15
IUPAC Name3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
SMILESCc1ccc(-c2noc(CN)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)O)cn12
InChIInChI=1S/C21H20N6O4/c1-12-2-5-14(20-25-18(9-22)31-26-20)8-15(12)24-21(30)16-10-23-17-6-3-13(11-27(16)17)4-7-19(28)29/h2-3,5-6,8,10-11H,4,7,9,22H2,1H3,(H,24,30)(H,28,29)
InChIKeyIDXCOYZCBXSRPG-UHFFFAOYSA-N
XLogP2.42
TPSA148.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3-[[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid
CID 71282794
[3-[4-methyl-3-[[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]imidazo[1,2-a]pyridine-3-carbonyl]amino]phenyl]-1,2,4-oxadiazol-5-yl]methylcarbamic acid
CID 71291749
6-fluoro-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282248
ethane;6-fluoro-N-[5-[5-(3-hydroxy-3-methylbutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545174
7-methyl-N-[2-methyl-5-[5-(3-oxobutyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71286120
N-[5-[5-(fluoromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282200
N-[5-[5-[(2R)-3,3-difluoro-2-hydroxypropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 171796819
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;methanesulfonamide
CID 171796253
N-[5-[5-[3-(diethylamino)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71282350
N-[5-[5-[(3E)-3-(aminohydrazinylidene)butyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144545360
N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291760
N-[5-[5-[2-(1-hydroxycyclopropyl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71280638

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid?
The IUPAC name of 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid (CID 123542175) is 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid.
What is the SMILES notation for 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid?
The canonical SMILES for 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid is Cc1ccc(-c2noc(CN)n2)cc1NC(=O)c1cnc2ccc(CCC(=O)O)cn12.
What is the InChIKey of 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid?
The InChIKey is IDXCOYZCBXSRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4/c1-12-2-5-14(20-25-18(9-22)31-26-20)8-15(12)24-21(30)16-10-23-17-6-3-13(11-27(16)17)4-7-19(28)29/h2-3,5-6,8,10-11H,4,7,9,22H2,1H3,(H,24,30)(H,28,29).
What are the key properties of 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid?
3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid has a molecular weight of 420.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]propanoic acid is sourced from PubChem (CID 123542175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).