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1-methyl-1'-[5-(propan-2-yl)pyrimidin-4-yl]-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

ChemBase ID: 370653
Molecular Formular: C20H24N4O
Molecular Mass: 336.43076
Monoisotopic Mass: 336.19501141
SMILES and InChIs

SMILES:
C12(C(=O)N(c3c1cccc3)C)CN(c1c(C(C)C)cncn1)CCC2
Canonical SMILES:
O=C1N(C)c2c(C31CCCN(C3)c1ncncc1C(C)C)cccc2
InChI:
InChI=1S/C20H24N4O/c1-14(2)15-11-21-13-22-18(15)24-10-6-9-20(12-24)16-7-4-5-8-17(16)23(3)19(20)25/h4-5,7-8,11,13-14H,6,9-10,12H2,1-3H3
InChIKey:
SNANLTJMLSBHAR-UHFFFAOYSA-N

Cite this record

CBID:370653 http://www.chembase.cn/molecule-370653.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1'-[5-(propan-2-yl)pyrimidin-4-yl]-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
IUPAC Traditional name
1'-(5-isopropylpyrimidin-4-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one
Synonyms
1'-(5-isopropylpyrimidin-4-yl)-1-methylspiro[indole-3,3'-piperidin]-2(1H)-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.11432  LogD (pH = 7.4) 3.2393317 
Log P 3.2412045  Molar Refractivity 99.8143 cm3
Polarizability 37.339462 Å3 Polar Surface Area 49.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.07  LOG S -4.28 
Polar Surface Area 49.33 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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