3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid

C16H20N4O3 — CID 175416008

IUPAC3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid
SMILESCCC(C)(NC(=O)C1CN(C(=O)O)C1)c1cnc2ccccn12
InChIInChI=1S/C16H20N4O3/c1-3-16(2,12-8-17-13-6-4-5-7-20(12)13)18-14(21)11-9-19(10-11)15(22)23/h4-8,11H,3,9-10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBSCCOVOJBSMAQZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.69
Rot. Bonds4

About 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid

3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid (PubChem CID 175416008) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid
PubChem CID175416008
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid
SMILESCCC(C)(NC(=O)C1CN(C(=O)O)C1)c1cnc2ccccn12
InChIInChI=1S/C16H20N4O3/c1-3-16(2,12-8-17-13-6-4-5-7-20(12)13)18-14(21)11-9-19(10-11)15(22)23/h4-8,11H,3,9-10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyBSCCOVOJBSMAQZ-UHFFFAOYSA-N
XLogP1.69
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl(methyl)carbamoyl]azetidine-1-carboxylic acid
CID 175415997
2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl azetidine-1-carboxylate
CID 163368021
1-(2-amino-5-fluoropyrimidin-4-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367793
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 123773817
tert-butyl 6-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 123975122
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-(methylamino)pyrimidin-4-yl]azetidine-3-carboxamide
CID 163368048
1-[5-fluoro-2-[(3R)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367855
1-[5-chloro-2-(3-ethylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)azetidine-3-carboxamide
CID 163367897
N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-1-[5-methoxy-2-[(3R)-3,4,5-trimethylpiperazin-1-yl]pyrimidin-4-yl]azetidine-3-carboxamide
CID 171990740
3-(2-methylpentan-2-yl)imidazo[1,2-a]pyridine
CID 135275036
4-[5-chloro-4-[3-[ethyl(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)carbamoyl]azetidin-1-yl]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylic acid
CID 174237411
1-[5-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 171581153

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid (CID 175416008) is 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid is CCC(C)(NC(=O)C1CN(C(=O)O)C1)c1cnc2ccccn12.
What is the InChIKey of 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid?
The InChIKey is BSCCOVOJBSMAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-16(2,12-8-17-13-6-4-5-7-20(12)13)18-14(21)11-9-19(10-11)15(22)23/h4-8,11H,3,9-10H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid?
3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[1,2-a]pyridin-3-ylbutan-2-ylcarbamoyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 175416008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).