[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C20H17N3O3 — CID 7246989

IUPAC[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H17N3O3/c1-12-18(14-7-3-4-8-15(14)21-12)19(24)13(2)26-20(25)16-11-23-10-6-5-9-17(23)22-16/h3-11,13,21H,1-2H3/t13-/m0/s1
InChIKeyLIOLFBOCKIORTI-ZDUSSCGKSA-N
MW347.37 g/mol
LogP3.55
Rot. Bonds4

About [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246989) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246989
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H17N3O3/c1-12-18(14-7-3-4-8-15(14)21-12)19(24)13(2)26-20(25)16-11-23-10-6-5-9-17(23)22-16/h3-11,13,21H,1-2H3/t13-/m0/s1
InChIKeyLIOLFBOCKIORTI-ZDUSSCGKSA-N
XLogP3.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7517605
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736687
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 47006547
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1-oxo-2H-isoquinoline-3-carboxylate
CID 41012874
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 18080330
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889689
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 46611468
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7246989) is [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1cn2ccccc2n1.
What is the InChIKey of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LIOLFBOCKIORTI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-18(14-7-3-4-8-15(14)21-12)19(24)13(2)26-20(25)16-11-23-10-6-5-9-17(23)22-16/h3-11,13,21H,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).