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9-(5-chloropyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 488769
Molecular Formular: C19H27ClN4O
Molecular Mass: 362.89688
Monoisotopic Mass: 362.18733918
SMILES and InChIs

SMILES:
N1(C(=O)CCC2(C1)CCN(c1ncc(cc1)Cl)CC2)C1CN(CC1)C
Canonical SMILES:
CN1CCC(C1)N1CC2(CCN(CC2)c2ccc(cn2)Cl)CCC1=O
InChI:
InChI=1S/C19H27ClN4O/c1-22-9-5-16(13-22)24-14-19(6-4-18(24)25)7-10-23(11-8-19)17-3-2-15(20)12-21-17/h2-3,12,16H,4-11,13-14H2,1H3
InChIKey:
UXVCDIGYTHGJRT-UHFFFAOYSA-N

Cite this record

CBID:488769 http://www.chembase.cn/molecule-488769.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-(5-chloropyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
9-(5-chloropyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
9-(5-chloropyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)-2,9-diazaspiro[5.5]undecan-3-one

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)
H Acceptors H Donor
LogD (pH = 5.5) -0.75649333  LogD (pH = 7.4) 1.0512624 
Log P 1.9135091  Molar Refractivity 101.1958 cm3
Polarizability 38.77746 Å3 Polar Surface Area 39.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.32  LOG S -3.83 
Polar Surface Area 39.68 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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