2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

C20H27N5O4 — CID 72859642

IUPAC2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)no1)CC2
InChIInChI=1S/C20H27N5O4/c1-13(2)15-10-16(29-23-15)19(27)24-8-5-20(6-9-24)18-14(21-12-22-18)4-7-25(20)17(26)11-28-3/h10,12-13H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyPJEIVIHRBJQRAP-UHFFFAOYSA-N
MW401.47 g/mol
LogP1.68
Rot. Bonds4

About 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone

2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (PubChem CID 72859642) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
PubChem CID72859642
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
SMILESCOCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)no1)CC2
InChIInChI=1S/C20H27N5O4/c1-13(2)15-10-16(29-23-15)19(27)24-8-5-20(6-9-24)18-14(21-12-22-18)4-7-25(20)17(26)11-28-3/h10,12-13H,4-9,11H2,1-3H3,(H,21,22)
InChIKeyPJEIVIHRBJQRAP-UHFFFAOYSA-N
XLogP1.68
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone with MolForge

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Related Compounds

1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72872199
1-[1'-(4-fluorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72839133
2-methoxy-1-[1'-(1-propan-2-ylpyrrole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72910353
2-methoxy-1-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72922691
2-methoxy-1-[1'-(1-methylimidazole-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72863438
1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
1-[1'-(2-ethylpyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72940082
2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72866151
1-[1'-(5-ethylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72905682
2-methoxy-1-[1'-[(2R)-spiro[2.5]octane-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 97270200
2-methoxy-1-[1'-(oxane-4-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72935965
(2R)-1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylimidazol-1-yl)propan-1-one
CID 97269525

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The IUPAC name of 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone (CID 72859642) is 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C(C)C)no1)CC2.
What is the InChIKey of 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
The InChIKey is PJEIVIHRBJQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-13(2)15-10-16(29-23-15)19(27)24-8-5-20(6-9-24)18-14(21-12-22-18)4-7-25(20)17(26)11-28-3/h10,12-13H,4-9,11H2,1-3H3,(H,21,22).
What are the key properties of 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone?
2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone has a molecular weight of 401.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[1'-(3-propan-2-yl-1,2-oxazole-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone is sourced from PubChem (CID 72859642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).