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N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(morpholin-4-yl)propanamide

ChemBase ID: 360224
Molecular Formular: C23H32N4O3
Molecular Mass: 412.52518
Monoisotopic Mass: 412.2474409
SMILES and InChIs

SMILES:
c12c(n(nc2)c2ccc(cc2)OC)CC(CC1NC(=O)CCN1CCOCC1)(C)C
Canonical SMILES:
COc1ccc(cc1)n1ncc2c1CC(C)(C)CC2NC(=O)CCN1CCOCC1
InChI:
InChI=1S/C23H32N4O3/c1-23(2)14-20(25-22(28)8-9-26-10-12-30-13-11-26)19-16-24-27(21(19)15-23)17-4-6-18(29-3)7-5-17/h4-7,16,20H,8-15H2,1-3H3,(H,25,28)
InChIKey:
PUKMGLFIKGTNFQ-UHFFFAOYSA-N

Cite this record

CBID:360224 http://www.chembase.cn/molecule-360224.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(morpholin-4-yl)propanamide
IUPAC Traditional name
N-[1-(4-methoxyphenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-(morpholin-4-yl)propanamide
Synonyms
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(4-morpholinyl)propanamide

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 15.235046  H Acceptors
H Donor LogD (pH = 5.5) 0.49632427 
LogD (pH = 7.4) 1.9215969  Log P 2.0959716 
Molar Refractivity 117.24 cm3 Polarizability 45.745613 Å3
Polar Surface Area 68.62 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.53  LOG S -3.62 
Polar Surface Area 68.62 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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