[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C18H23N3O3 — CID 7226279

IUPAC[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1cn2ccccc2n1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H23N3O3/c1-13(17(22)19-11-14-7-3-2-4-8-14)24-18(23)15-12-21-10-6-5-9-16(21)20-15/h5-6,9-10,12-14H,2-4,7-8,11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyOWMQYTJOMKNMIQ-ZDUSSCGKSA-N
MW329.40 g/mol
LogP2.58
Rot. Bonds5

About [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7226279) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7226279
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1cn2ccccc2n1)C(=O)NCC1CCCCC1
InChIInChI=1S/C18H23N3O3/c1-13(17(22)19-11-14-7-3-2-4-8-14)24-18(23)15-12-21-10-6-5-9-16(21)20-15/h5-6,9-10,12-14H,2-4,7-8,11H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyOWMQYTJOMKNMIQ-ZDUSSCGKSA-N
XLogP2.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246964
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477427
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226286
[(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-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246982
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-2-carboxylate
CID 7802873
[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7247094

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7226279) is [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)NCC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OWMQYTJOMKNMIQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(17(22)19-11-14-7-3-2-4-8-14)24-18(23)15-12-21-10-6-5-9-16(21)20-15/h5-6,9-10,12-14H,2-4,7-8,11H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7226279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).