1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone

C20H26N4O2 — CID 139001428

IUPAC1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3cncn3c2C)CC12CCCCC2
InChIInChI=1S/C20H26N4O2/c1-15-18(7-6-17-12-21-14-23(15)17)19(26)22-10-11-24(16(2)25)20(13-22)8-4-3-5-9-20/h6-7,12,14H,3-5,8-11,13H2,1-2H3
InChIKeyFKVLXWMJTMXCHS-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.65
Rot. Bonds1

About 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone

1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone (PubChem CID 139001428) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
PubChem CID139001428
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3cncn3c2C)CC12CCCCC2
InChIInChI=1S/C20H26N4O2/c1-15-18(7-6-17-12-21-14-23(15)17)19(26)22-10-11-24(16(2)25)20(13-22)8-4-3-5-9-20/h6-7,12,14H,3-5,8-11,13H2,1-2H3
InChIKeyFKVLXWMJTMXCHS-UHFFFAOYSA-N
XLogP2.65
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(triazol-1-yl)benzoyl]-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
CID 166191683
5-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-N,2,3-trimethylbenzenesulfonamide
CID 71905599
1-[4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-1,4-diazaspiro[5.5]undecan-1-yl]ethanone
CID 139001313
1-acetyl-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
CID 154849352
7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
CID 138996436
(1-methyl-1,4-diazaspiro[5.5]undecan-4-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 126839749
1-acetyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
CID 128738142
(5-methyl-1,2-oxazol-4-yl)-[(5R)-1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97393555
8-[5-methyl-1-(4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrazole-4-carbonyl]-5,8-diazaspiro[3.5]nonane-5-carbaldehyde
CID 145287254
1-[4-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-1-yl]ethanone
CID 3983688
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 119899839
(3-methyl-1,2-oxazol-4-yl)-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)methanone
CID 134074824

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone?
The IUPAC name of 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone (CID 139001428) is 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc3cncn3c2C)CC12CCCCC2.
What is the InChIKey of 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone?
The InChIKey is FKVLXWMJTMXCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-18(7-6-17-12-21-14-23(15)17)19(26)22-10-11-24(16(2)25)20(13-22)8-4-3-5-9-20/h6-7,12,14H,3-5,8-11,13H2,1-2H3.
What are the key properties of 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone?
1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylimidazo[1,5-a]pyridine-6-carbonyl)-1,4-diazaspiro[5.5]undecan-1-yl]ethanone is sourced from PubChem (CID 139001428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).