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N-methyl-N-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide

ChemBase ID: 323132
Molecular Formular: C18H20N6O
Molecular Mass: 336.391
Monoisotopic Mass: 336.16985929
SMILES and InChIs

SMILES:
n12c(nnn1)ccc(c2)C(=O)N(CC1N(Cc2c(C1)cccc2)C)C
Canonical SMILES:
CN1Cc2ccccc2CC1CN(C(=O)c1ccc2n(c1)nnn2)C
InChI:
InChI=1S/C18H20N6O/c1-22-10-14-6-4-3-5-13(14)9-16(22)12-23(2)18(25)15-7-8-17-19-20-21-24(17)11-15/h3-8,11,16H,9-10,12H2,1-2H3
InChIKey:
ZPOYYQKESSZFCC-UHFFFAOYSA-N

Cite this record

CBID:323132 http://www.chembase.cn/molecule-323132.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-[(2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide
IUPAC Traditional name
N-methyl-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-6-carboxamide
Synonyms
N-methyl-N-[(2-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11387558 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) -0.11437238  LogD (pH = 7.4) 1.549491 
Log P 1.9436983  Molar Refractivity 108.6341 cm3
Polarizability 35.80642 Å3 Polar Surface Area 66.63 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.43  LOG S -2.02 
Polar Surface Area 66.63 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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