[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate

C14H16N2O3 — CID 95635933

IUPAC[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCc1nc(C(=O)OC[C@@H]2CCCO2)c2ccccn12
InChIInChI=1S/C14H16N2O3/c1-10-15-13(12-6-2-3-7-16(10)12)14(17)19-9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyYSSIEBUNRWENGK-NSHDSACASA-N
MW260.29 g/mol
LogP1.98
Rot. Bonds3

About [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate

[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 95635933) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID95635933
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCc1nc(C(=O)OC[C@@H]2CCCO2)c2ccccn12
InChIInChI=1S/C14H16N2O3/c1-10-15-13(12-6-2-3-7-16(10)12)14(17)19-9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyYSSIEBUNRWENGK-NSHDSACASA-N
XLogP1.98
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
CID 97219335
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
oxolan-2-ylmethyl 3-aminopyridine-2-carboxylate
CID 103993274
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxolan-2-ylmethyl 4-amino-1-methylpyrazole-3-carboxylate
CID 65355547
5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(2-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 22898675
oxolan-2-ylmethyl 3-(3,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50820793
oxolan-2-ylmethyl pyridine-3-carboxylate
CID 6260
[(2R)-oxolan-2-yl]methyl 3-(2,4-dimethylanilino)quinoxaline-2-carboxylate
CID 94070043
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate (CID 95635933) is [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate is Cc1nc(C(=O)OC[C@@H]2CCCO2)c2ccccn12.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is YSSIEBUNRWENGK-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-15-13(12-6-2-3-7-16(10)12)14(17)19-9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-9H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
[(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 95635933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).