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1-(3-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine

ChemBase ID: 321538
Molecular Formular: C21H30N4O2
Molecular Mass: 370.4885
Monoisotopic Mass: 370.23687622
SMILES and InChIs

SMILES:
c1(c(n2c(n1)c(ccc2)C)CN1CC(CC1)COC)C(=O)N1CCCCC1
Canonical SMILES:
COCC1CCN(C1)Cc1c(nc2n1cccc2C)C(=O)N1CCCCC1
InChI:
InChI=1S/C21H30N4O2/c1-16-7-6-11-25-18(14-23-12-8-17(13-23)15-27-2)19(22-20(16)25)21(26)24-9-4-3-5-10-24/h6-7,11,17H,3-5,8-10,12-15H2,1-2H3
InChIKey:
HVBIIBWSZGCVDZ-UHFFFAOYSA-N

Cite this record

CBID:321538 http://www.chembase.cn/molecule-321538.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine
IUPAC Traditional name
1-(3-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-8-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine
Synonyms
3-{[3-(methoxymethyl)-1-pyrrolidinyl]methyl}-8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11165391 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.0022328  LogD (pH = 7.4) 0.7714753 
Log P 1.6873525  Molar Refractivity 108.6333 cm3
Polarizability 40.748875 Å3 Polar Surface Area 50.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.28  LOG S -2.7 
Polar Surface Area 50.08 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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