(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate

C20H14ClN3O3 — CID 75416787

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H14ClN3O3/c21-14-6-9-18-22-15(11-24(18)10-14)12-27-20(26)16-7-8-17(23-19(16)25)13-4-2-1-3-5-13/h1-11H,12H2,(H,23,25)
InChIKeyVSJYFJXEYMEKQV-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.70
Rot. Bonds4

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate (PubChem CID 75416787) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate
PubChem CID75416787
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C20H14ClN3O3/c21-14-6-9-18-22-15(11-24(18)10-14)12-27-20(26)16-7-8-17(23-19(16)25)13-4-2-1-3-5-13/h1-11H,12H2,(H,23,25)
InChIKeyVSJYFJXEYMEKQV-UHFFFAOYSA-N
XLogP3.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 40776710
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 8819981
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate
CID 41250909
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 25405404
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911730
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate
CID 41492662
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1H-indole-2-carboxylate
CID 46610857
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 7151600
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 72885289

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate (CID 75416787) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate is O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is VSJYFJXEYMEKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-14-6-9-18-22-15(11-24(18)10-14)12-27-20(26)16-7-8-17(23-19(16)25)13-4-2-1-3-5-13/h1-11H,12H2,(H,23,25).
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 379.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 75416787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).