6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione

C15H17BrN2O2 — CID 166460740

IUPAC
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC2)CC1
InChIInChI=1S/C15H17BrN2O2/c1-9-8-10(16)13(20)18-11(9)12(19)17-15(18)6-4-14(2-3-14)5-7-15/h8H,2-7H2,1H3,(H,17,19)
InChIKeyNACVHIXLBCQRLZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.67
Rot. Bonds

About 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione

6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione (PubChem CID 166460740) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol.

Molecular Properties

Compound Name6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione
PubChem CID166460740
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name
SMILESCc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC2)CC1
InChIInChI=1S/C15H17BrN2O2/c1-9-8-10(16)13(20)18-11(9)12(19)17-15(18)6-4-14(2-3-14)5-7-15/h8H,2-7H2,1H3,(H,17,19)
InChIKeyNACVHIXLBCQRLZ-UHFFFAOYSA-N
XLogP2.67
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione?
The IUPAC name of 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione (CID 166460740) is not available.
What is the SMILES notation for 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione?
The canonical SMILES for 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione is Cc1cc(Br)c(=O)n2c1C(=O)NC21CCC2(CC2)CC1.
What is the InChIKey of 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione?
The InChIKey is NACVHIXLBCQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9-8-10(16)13(20)18-11(9)12(19)17-15(18)6-4-14(2-3-14)5-7-15/h8H,2-7H2,1H3,(H,17,19).
What are the key properties of 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione?
6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione has a molecular weight of 337.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6''-Bromo-8''-methyl-2''H-dispiro[cyclopropane-1,1'-cyclohexane-4',3''-imidazo[1,5-A]pyridine]-1'',5''-dione is sourced from PubChem (CID 166460740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).