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1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-[1-(naphthalen-1-yl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyridine

ChemBase ID: 370560
Molecular Formular: C23H23N5
Molecular Mass: 369.46222
Monoisotopic Mass: 369.19534576
SMILES and InChIs

SMILES:
n1(ncc(c1)C1=CCN(Cc2n(cnc2)C)CC1)c1c2c(ccc1)cccc2
Canonical SMILES:
Cn1cncc1CN1CCC(=CC1)c1cnn(c1)c1cccc2c1cccc2
InChI:
InChI=1S/C23H23N5/c1-26-17-24-14-21(26)16-27-11-9-18(10-12-27)20-13-25-28(15-20)23-8-4-6-19-5-2-3-7-22(19)23/h2-9,13-15,17H,10-12,16H2,1H3
InChIKey:
PXTCEWHRGDHLKN-UHFFFAOYSA-N

Cite this record

CBID:370560 http://www.chembase.cn/molecule-370560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-[1-(naphthalen-1-yl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyridine
IUPAC Traditional name
1-[(3-methylimidazol-4-yl)methyl]-4-[1-(naphthalen-1-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine
Synonyms
1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-[1-(1-naphthyl)-1H-pyrazol-4-yl]-1,2,3,6-tetrahydropyridine

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) 1.4930452  LogD (pH = 7.4) 2.8793406 
Log P 3.1753955  Molar Refractivity 114.6232 cm3
Polarizability 44.86141 Å3 Polar Surface Area 38.88 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.55  LOG S -3.91 
Polar Surface Area 38.88 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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