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N-{[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-N-ethylcyclopropanamine

ChemBase ID: 865986
Molecular Formular: C24H35N5O
Molecular Mass: 409.5676
Monoisotopic Mass: 409.28416077
SMILES and InChIs

SMILES:
c1(c(n2c(n1)cccc2)CN(C1CC1)CC)C(=O)N1CCN(CC1)C1CCCCC1
Canonical SMILES:
CCN(C1CC1)Cc1c(nc2n1cccc2)C(=O)N1CCN(CC1)C1CCCCC1
InChI:
InChI=1S/C24H35N5O/c1-2-26(20-11-12-20)18-21-23(25-22-10-6-7-13-29(21)22)24(30)28-16-14-27(15-17-28)19-8-4-3-5-9-19/h6-7,10,13,19-20H,2-5,8-9,11-12,14-18H2,1H3
InChIKey:
LVTBCKGBOBFKPO-UHFFFAOYSA-N

Cite this record

CBID:865986 http://www.chembase.cn/molecule-865986.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-N-ethylcyclopropanamine
IUPAC Traditional name
N-{[2-(4-cyclohexylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-N-ethylcyclopropanamine
Synonyms
({2-[(4-cyclohexylpiperazin-1-yl)carbonyl]imidazo[1,2-a]pyridin-3-yl}methyl)cyclopropyl(ethyl)amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66775530 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) -2.102403  LogD (pH = 7.4) 1.4087921 
Log P 2.7735527  Molar Refractivity 121.8805 cm3
Polarizability 46.457188 Å3 Polar Surface Area 44.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.61  LOG S -4.42 
Polar Surface Area 44.09 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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