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2-(4-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)phenol

ChemBase ID: 470586
Molecular Formular: C23H27N5O2
Molecular Mass: 405.49278
Monoisotopic Mass: 405.21647513
SMILES and InChIs

SMILES:
c1(c(n2c(n1)cccc2)CN1CCN(c2c(O)cccc2)CC1)C(=O)N1CCCC1
Canonical SMILES:
O=C(c1nc2n(c1CN1CCN(CC1)c1ccccc1O)cccc2)N1CCCC1
InChI:
InChI=1S/C23H27N5O2/c29-20-8-2-1-7-18(20)26-15-13-25(14-16-26)17-19-22(23(30)27-10-5-6-11-27)24-21-9-3-4-12-28(19)21/h1-4,7-9,12,29H,5-6,10-11,13-17H2
InChIKey:
BLUUIDXWJWLBCN-UHFFFAOYSA-N

Cite this record

CBID:470586 http://www.chembase.cn/molecule-470586.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)phenol
IUPAC Traditional name
2-(4-{[2-(pyrrolidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperazin-1-yl)phenol
Synonyms
2-(4-{[2-(1-pyrrolidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-piperazinyl)phenol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.198482  H Acceptors
H Donor LogD (pH = 5.5) 0.8816271 
LogD (pH = 7.4) 2.0584035  Log P 2.145262 
Molar Refractivity 118.9269 cm3 Polarizability 44.107754 Å3
Polar Surface Area 64.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.16  LOG S -4.34 
Polar Surface Area 64.32 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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