methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate

C16H19N3O3 — CID 95142697

IUPACmethyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1c(C)nc2ccc(C)cn12
InChIInChI=1S/C16H19N3O3/c1-10-6-7-13-17-11(2)14(19(13)9-10)15(20)18-8-4-5-12(18)16(21)22-3/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m0/s1
InChIKeyXMQROPMJHCQGJG-LBPRGKRZSA-N
MW301.35 g/mol
LogP1.73
Rot. Bonds2

About methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 95142697) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate
PubChem CID95142697
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)c1c(C)nc2ccc(C)cn12
InChIInChI=1S/C16H19N3O3/c1-10-6-7-13-17-11(2)14(19(13)9-10)15(20)18-8-4-5-12(18)16(21)22-3/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m0/s1
InChIKeyXMQROPMJHCQGJG-LBPRGKRZSA-N
XLogP1.73
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(5-methyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxylate
CID 61219649
(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 124953289
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 77087976
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 114610715
methyl (2S)-1-(2-phenylmethoxynaphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 102295273
methyl 1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43409912
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 101252038
methyl 1-(4-phenyldiazenylbenzoyl)pyrrolidine-2-carboxylate
CID 610761
methyl 1-(1,3-thiazole-2-carbonyl)pyrrolidine-2-carboxylate
CID 110486174

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate (CID 95142697) is methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)c1c(C)nc2ccc(C)cn12.
What is the InChIKey of methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is XMQROPMJHCQGJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-6-7-13-17-11(2)14(19(13)9-10)15(20)18-8-4-5-12(18)16(21)22-3/h6-7,9,12H,4-5,8H2,1-3H3/t12-/m0/s1.
What are the key properties of methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 95142697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).