(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate

C23H15ClN4O3 — CID 40776710

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H15ClN4O3/c24-15-10-11-20-25-16(13-27(20)12-15)14-31-23(30)21-18-8-4-5-9-19(18)22(29)28(26-21)17-6-2-1-3-7-17/h1-13H,14H2
InChIKeyGYSXZXULJJEWOV-UHFFFAOYSA-N
MW430.85 g/mol
LogP4.04
Rot. Bonds4

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate (PubChem CID 40776710) has the molecular formula C23H15ClN4O3 and a molecular weight of 430.85 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
PubChem CID40776710
Molecular FormulaC23H15ClN4O3
Molecular Weight430.85 g/mol
Exact Mass430.08
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C23H15ClN4O3/c24-15-10-11-20-25-16(13-27(20)12-15)14-31-23(30)21-18-8-4-5-9-19(18)22(29)28(26-21)17-6-2-1-3-7-17/h1-13H,14H2
InChIKeyGYSXZXULJJEWOV-UHFFFAOYSA-N
XLogP4.04
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 12695680
(4-methylphenyl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 7184687
(2-amino-2-oxoethyl) 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2699543
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 46696668
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 75416787
[2-(diethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588325
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
(2-chloro-7-methoxyquinolin-3-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
CID 40783456
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 25405404
(4-oxo-4-phenylbutyl) 4-oxo-3-phenylphthalazine-1-carboxylate
CID 42965873

Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate (CID 40776710) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate is O=C(OCc1cn2cc(Cl)ccc2n1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate?
The InChIKey is GYSXZXULJJEWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O3/c24-15-10-11-20-25-16(13-27(20)12-15)14-31-23(30)21-18-8-4-5-9-19(18)22(29)28(26-21)17-6-2-1-3-7-17/h1-13H,14H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate has a molecular weight of 430.85 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate is sourced from PubChem (CID 40776710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).