Home > Compound List > Compound details
 molecular structure
click picture or here to close

1-methyl-1'-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one

ChemBase ID: 370236
Molecular Formular: C19H18N6O2
Molecular Mass: 362.38522
Monoisotopic Mass: 362.14912385
SMILES and InChIs

SMILES:
c1(nc2n(n1)cccn2)C(=O)N1CC2(C(=O)N(c3c2cccc3)C)CCC1
Canonical SMILES:
O=C1N(C)c2c(C31CCCN(C3)C(=O)c1nn3c(n1)nccc3)cccc2
InChI:
InChI=1S/C19H18N6O2/c1-23-14-7-3-2-6-13(14)19(17(23)27)8-4-10-24(12-19)16(26)15-21-18-20-9-5-11-25(18)22-15/h2-3,5-7,9,11H,4,8,10,12H2,1H3
InChIKey:
GKSBOYBAHCJRLN-UHFFFAOYSA-N

Cite this record

CBID:370236 http://www.chembase.cn/molecule-370236.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1'-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}-1,2-dihydrospiro[indole-3,3'-piperidine]-2-one
IUPAC Traditional name
1-methyl-1'-{[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl}spiro[indole-3,3'-piperidine]-2-one
Synonyms
1-methyl-1'-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)spiro[indole-3,3'-piperidin]-2(1H)-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18240597 external link Add to cart
Data Source Data ID Price
ChemBridge
18240597 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.6508517  LogD (pH = 7.4) 1.6508517 
Log P 1.6508517  Molar Refractivity 110.2967 cm3
Polarizability 36.628136 Å3 Polar Surface Area 83.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.54  LOG S -2.3 
Polar Surface Area 83.7 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle