[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C16H13ClN4O3 — CID 7246982

IUPAC[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN4O3/c1-10(15(22)20-13-6-5-11(17)8-18-13)24-16(23)12-9-21-7-3-2-4-14(21)19-12/h2-10H,1H3,(H,18,20,22)/t10-/m0/s1
InChIKeyNYRHJYODYHXKDB-JTQLQIEISA-N
MW344.76 g/mol
LogP2.57
Rot. Bonds4

About [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246982) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246982
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC Name[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H13ClN4O3/c1-10(15(22)20-13-6-5-11(17)8-18-13)24-16(23)12-9-21-7-3-2-4-14(21)19-12/h2-10H,1H3,(H,18,20,22)/t10-/m0/s1
InChIKeyNYRHJYODYHXKDB-JTQLQIEISA-N
XLogP2.57
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246853
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246973
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477460
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 7734997
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 7485921
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648454
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226279
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 42886016
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246964
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2572218

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7246982) is [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is NYRHJYODYHXKDB-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13ClN4O3/c1-10(15(22)20-13-6-5-11(17)8-18-13)24-16(23)12-9-21-7-3-2-4-14(21)19-12/h2-10H,1H3,(H,18,20,22)/t10-/m0/s1.
What are the key properties of [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 344.76 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).