6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid

C14H15BrN2O4 — CID 146257755

IUPAC6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid
SMILESCc1cc(Br)c(=O)n2c1C(=O)N(C(=O)O)C21CCCCC1
InChIInChI=1S/C14H15BrN2O4/c1-8-7-9(15)11(18)16-10(8)12(19)17(13(20)21)14(16)5-3-2-4-6-14/h7H,2-6H2,1H3,(H,20,21)
InChIKeyKLPYCHRNIXFWMM-UHFFFAOYSA-N
MW355.19 g/mol
LogP2.67
Rot. Bonds

About 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid

6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid (PubChem CID 146257755) has the molecular formula C14H15BrN2O4 and a molecular weight of 355.19 g/mol. Its IUPAC name is 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid.

Molecular Properties

Compound Name6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid
PubChem CID146257755
Molecular FormulaC14H15BrN2O4
Molecular Weight355.19 g/mol
Exact Mass354.02
IUPAC Name6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid
SMILESCc1cc(Br)c(=O)n2c1C(=O)N(C(=O)O)C21CCCCC1
InChIInChI=1S/C14H15BrN2O4/c1-8-7-9(15)11(18)16-10(8)12(19)17(13(20)21)14(16)5-3-2-4-6-14/h7H,2-6H2,1H3,(H,20,21)
InChIKeyKLPYCHRNIXFWMM-UHFFFAOYSA-N
XLogP2.67
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid with MolForge

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Related Compounds

6'-bromo-8'-chloro-2'-methylspiro[cyclobutane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 139387352
6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione
CID 166460740
2'-hydroxy-8'-methylspiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
CID 175768675
6-bromo-1',8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-1,5-dione
CID 118598841
6'-bromo-8'-chloro-2'-methylspiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;tert-butyl N-[(E)-3-aminoprop-1-enyl]carbamate
CID 144985930
1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117498418
5-bromo-2-[1-(hydroxymethyl)cyclohexyl]isoindole-1,3-dione
CID 62520368
1-(6-bromo-2,3-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117478644
3-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-methylbenzamide
CID 115701184
1-[(3-bromo-4-methylphenyl)-hydroxymethyl]cycloheptane-1-carbonitrile
CID 105403971
1-[(3-bromo-4-methylphenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 105403965
(E)-3-(4-bromo-2-chloro-5-methylphenyl)-4-hydroxy-4-(1-methylcyclohexyl)but-3-en-2-one
CID 70308040

Frequently Asked Questions

What is the IUPAC name of 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid?
The IUPAC name of 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid (CID 146257755) is 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid.
What is the SMILES notation for 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid?
The canonical SMILES for 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid is Cc1cc(Br)c(=O)n2c1C(=O)N(C(=O)O)C21CCCCC1.
What is the InChIKey of 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid?
The InChIKey is KLPYCHRNIXFWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4/c1-8-7-9(15)11(18)16-10(8)12(19)17(13(20)21)14(16)5-3-2-4-6-14/h7H,2-6H2,1H3,(H,20,21).
What are the key properties of 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid?
6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid has a molecular weight of 355.19 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-bromo-8'-methyl-1',5'-dioxospiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-2'-carboxylic acid is sourced from PubChem (CID 146257755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).