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N-cyclopentyl-4-(2-methyl-1H-imidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

ChemBase ID: 340973
Molecular Formular: C16H19N5
Molecular Mass: 281.35556
Monoisotopic Mass: 281.16404563
SMILES and InChIs

SMILES:
c1(nc([nH]c1)C)c1c2c(nc(c1)NC1CCCC1)[nH]cc2
Canonical SMILES:
Cc1[nH]cc(n1)c1cc(NC2CCCC2)nc2c1cc[nH]2
InChI:
InChI=1S/C16H19N5/c1-10-18-9-14(19-10)13-8-15(20-11-4-2-3-5-11)21-16-12(13)6-7-17-16/h6-9,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
InChIKey:
USBMJKRWFGQRIW-UHFFFAOYSA-N

Cite this record

CBID:340973 http://www.chembase.cn/molecule-340973.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopentyl-4-(2-methyl-1H-imidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
IUPAC Traditional name
N-cyclopentyl-4-(2-methyl-1H-imidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine
Synonyms
N-cyclopentyl-4-(2-methyl-1H-imidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13952997 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)
Acid pKa 13.886151  H Acceptors
H Donor LogD (pH = 5.5) 1.6805843 
LogD (pH = 7.4) 2.6344714  Log P 2.6814053 
Molar Refractivity 84.0204 cm3 Polarizability 33.15557 Å3
Polar Surface Area 69.39 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.05  LOG S -3.86 
Polar Surface Area 69.39 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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