6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

C21H24N2O4 — CID 118598862

IUPAC6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCOc1ccc(COc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)cc1
InChIInChI=1S/C21H24N2O4/c1-14-12-17(27-13-15-6-8-16(26-2)9-7-15)20(25)23-18(14)19(24)22-21(23)10-4-3-5-11-21/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24)
InChIKeyRYZYCIALMWWITL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.10
Rot. Bonds4

About 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (PubChem CID 118598862) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
PubChem CID118598862
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
SMILESCOc1ccc(COc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)cc1
InChIInChI=1S/C21H24N2O4/c1-14-12-17(27-13-15-6-8-16(26-2)9-7-15)20(25)23-18(14)19(24)22-21(23)10-4-3-5-11-21/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24)
InChIKeyRYZYCIALMWWITL-UHFFFAOYSA-N
XLogP3.10
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione (CID 118598862) is 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is COc1ccc(COc2cc(C)c3n(c2=O)C2(CCCCC2)NC3=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
The InChIKey is RYZYCIALMWWITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-12-17(27-13-15-6-8-16(26-2)9-7-15)20(25)23-18(14)19(24)22-21(23)10-4-3-5-11-21/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione?
6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione has a molecular weight of 368.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione is sourced from PubChem (CID 118598862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).