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4-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(1-methyl-1H-indazol-6-yl)piperazine-1-carboxamide

ChemBase ID: 340342
Molecular Formular: C18H23N7O
Molecular Mass: 353.42152
Monoisotopic Mass: 353.19640839
SMILES and InChIs

SMILES:
C(=O)(N1CCN(Cc2n(ccn2)C)CC1)Nc1cc2n(ncc2cc1)C
Canonical SMILES:
O=C(N1CCN(CC1)Cc1nccn1C)Nc1ccc2c(c1)n(C)nc2
InChI:
InChI=1S/C18H23N7O/c1-22-6-5-19-17(22)13-24-7-9-25(10-8-24)18(26)21-15-4-3-14-12-20-23(2)16(14)11-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,26)
InChIKey:
HIWQUDYPTVDSDV-UHFFFAOYSA-N

Cite this record

CBID:340342 http://www.chembase.cn/molecule-340342.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(1-methyl-1H-indazol-6-yl)piperazine-1-carboxamide
IUPAC Traditional name
4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
Synonyms
4-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(1-methyl-1H-indazol-6-yl)piperazine-1-carboxamide

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)
Acid pKa 12.976344  H Acceptors
H Donor LogD (pH = 5.5) -0.08411826 
LogD (pH = 7.4) 0.5003717  Log P 0.5214659 
Molar Refractivity 112.4634 cm3 Polarizability 38.744038 Å3
Polar Surface Area 71.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.64  LOG S -2.32 
Polar Surface Area 71.22 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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