methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate

C14H9N3O4 — CID 54681631

IUPACmethyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate
SMILESCOC(=O)c1c(O)c(C#N)c2[nH]c3ccccc3n2c1=O
InChIInChI=1S/C14H9N3O4/c1-21-14(20)10-11(18)7(6-15)12-16-8-4-2-3-5-9(8)17(12)13(10)19/h2-5,16,18H,1H3
InChIKeyPPFDSCSBVAUJCM-UHFFFAOYSA-N
MW283.24 g/mol
LogP1.14
Rot. Bonds1

About methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate

methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate (PubChem CID 54681631) has the molecular formula C14H9N3O4 and a molecular weight of 283.24 g/mol. Its IUPAC name is methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate
PubChem CID54681631
Molecular FormulaC14H9N3O4
Molecular Weight283.24 g/mol
Exact Mass283.06
IUPAC Namemethyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate
SMILESCOC(=O)c1c(O)c(C#N)c2[nH]c3ccccc3n2c1=O
InChIInChI=1S/C14H9N3O4/c1-21-14(20)10-11(18)7(6-15)12-16-8-4-2-3-5-9(8)17(12)13(10)19/h2-5,16,18H,1H3
InChIKeyPPFDSCSBVAUJCM-UHFFFAOYSA-N
XLogP1.14
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)acetate
CID 23033591
3-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)propanoic acid
CID 945617
ethane;3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 162080469
3-ethyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 2114010
2-[(4-cyano-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazol-2-yl)methyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 10721997
3-methyl-1-oxo-2-pentyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 2133307
2-[(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)methylideneamino]benzoic acid
CID 135453667
2-benzyl-3-hydroxy-7,8-dimethyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 54695701
2-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 23033521
3-methyl-1-oxo-2-[(4-phenylmethoxyphenyl)methyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 23033513
2-[(2-bromophenyl)iminomethyl]-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 135479225
2-[(6-chloro-3-pyridinyl)methyl]-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71590672

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate?
The IUPAC name of methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate (CID 54681631) is methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate.
What is the SMILES notation for methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate?
The canonical SMILES for methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate is COC(=O)c1c(O)c(C#N)c2[nH]c3ccccc3n2c1=O.
What is the InChIKey of methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate?
The InChIKey is PPFDSCSBVAUJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4/c1-21-14(20)10-11(18)7(6-15)12-16-8-4-2-3-5-9(8)17(12)13(10)19/h2-5,16,18H,1H3.
What are the key properties of methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate?
methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate has a molecular weight of 283.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyano-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylate is sourced from PubChem (CID 54681631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).