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1-(cyclohexylmethyl)-5-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

ChemBase ID: 410330
Molecular Formular: C23H38N4O2
Molecular Mass: 402.57342
Monoisotopic Mass: 402.29947648
SMILES and InChIs

SMILES:
c1(c2c(n(n1)CC1CCCCC1)CCC(C2)N1CCC(CC1)CO)C(=O)N(C)C
Canonical SMILES:
OCC1CCN(CC1)C1CCc2c(C1)c(nn2CC1CCCCC1)C(=O)N(C)C
InChI:
InChI=1S/C23H38N4O2/c1-25(2)23(29)22-20-14-19(26-12-10-18(16-28)11-13-26)8-9-21(20)27(24-22)15-17-6-4-3-5-7-17/h17-19,28H,3-16H2,1-2H3
InChIKey:
DLQLLTWFXGVRJX-UHFFFAOYSA-N

Cite this record

CBID:410330 http://www.chembase.cn/molecule-410330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(cyclohexylmethyl)-5-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
IUPAC Traditional name
1-(cyclohexylmethyl)-5-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
Synonyms
1-(cyclohexylmethyl)-5-[4-(hydroxymethyl)-1-piperidinyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.467189  H Acceptors
H Donor LogD (pH = 5.5) -0.33052558 
LogD (pH = 7.4) 1.4262189  Log P 2.516268 
Molar Refractivity 128.6585 cm3 Polarizability 44.69229 Å3
Polar Surface Area 61.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.66  LOG S -4.76 
Polar Surface Area 61.6 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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