(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

C20H19ClN2O4 — CID 40576001

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H19ClN2O4/c21-15-5-8-19-22-16(11-23(19)10-15)12-27-20(24)14-3-6-17(7-4-14)26-13-18-2-1-9-25-18/h3-8,10-11,18H,1-2,9,12-13H2/t18-/m1/s1
InChIKeyNTMLJTGFMSOIHY-GOSISDBHSA-N
MW386.84 g/mol
LogP3.90
Rot. Bonds6

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 40576001) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID40576001
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H19ClN2O4/c21-15-5-8-19-22-16(11-23(19)10-15)12-27-20(24)14-3-6-17(7-4-14)26-13-18-2-1-9-25-18/h3-8,10-11,18H,1-2,9,12-13H2/t18-/m1/s1
InChIKeyNTMLJTGFMSOIHY-GOSISDBHSA-N
XLogP3.90
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
[2-(4-chloroanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2559634
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445473
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
(2-ethoxyphenyl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55323446
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 55730623
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 42915833
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 18091511
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(oxolan-2-ylmethoxy)benzoate
CID 46821610
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 40576001) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is NTMLJTGFMSOIHY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-15-5-8-19-22-16(11-23(19)10-15)12-27-20(24)14-3-6-17(7-4-14)26-13-18-2-1-9-25-18/h3-8,10-11,18H,1-2,9,12-13H2/t18-/m1/s1.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 386.84 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 40576001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).