[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid

C15H14N4O2 — CID 141346036

IUPAC[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1nc2cccnc2n1-c1ccccc1
InChIInChI=1S/C15H14N4O2/c1-10(17-15(20)21)13-18-12-8-5-9-16-14(12)19(13)11-6-3-2-4-7-11/h2-10,17H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyRMXKLASMPJETSL-JTQLQIEISA-N
MW282.30 g/mol
LogP2.75
Rot. Bonds3

About [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid

[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid (PubChem CID 141346036) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
PubChem CID141346036
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid
SMILESC[C@H](NC(=O)O)c1nc2cccnc2n1-c1ccccc1
InChIInChI=1S/C15H14N4O2/c1-10(17-15(20)21)13-18-12-8-5-9-16-14(12)19(13)11-6-3-2-4-7-11/h2-10,17H,1H3,(H,20,21)/t10-/m0/s1
InChIKeyRMXKLASMPJETSL-JTQLQIEISA-N
XLogP2.75
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S)-1-[3-(4-chlorophenyl)imidazo[4,5-b]pyridin-2-yl]ethyl]carbamic acid
CID 141346004
2-(1-chloroethyl)-3-phenylimidazo[4,5-b]pyridine
CID 79290021
1-[3-(5-cyano-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]ethylcarbamic acid
CID 174216623
N-[1-(1-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 70922803
1-(5-methoxy-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90232864
1-(5-carbamoyl-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90235066
N-[1-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 110225702
1-(5-cyano-4-oxo-3-phenylquinazolin-2-yl)ethylcarbamic acid
CID 90233173
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
1-[5-[3-hydroxy-2-(hydroxymethyl)-2-methylpropoxy]-4-oxo-3-phenylquinazolin-2-yl]ethylcarbamic acid
CID 118677983

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid?
The IUPAC name of [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid (CID 141346036) is [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid is C[C@H](NC(=O)O)c1nc2cccnc2n1-c1ccccc1.
What is the InChIKey of [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid?
The InChIKey is RMXKLASMPJETSL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10(17-15(20)21)13-18-12-8-5-9-16-14(12)19(13)11-6-3-2-4-7-11/h2-10,17H,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid?
[(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid has a molecular weight of 282.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-phenylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamic acid is sourced from PubChem (CID 141346036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).