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3-{5-[1-(difluoromethyl)-1H-pyrazole-3-carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-(propan-2-yl)propanamide

ChemBase ID: 340959
Molecular Formular: C17H22F2N6O2
Molecular Mass: 380.3923864
Monoisotopic Mass: 380.17723041
SMILES and InChIs

SMILES:
c1(nn(cc1)C(F)F)C(=O)N1Cc2n(nc(c2)CCC(=O)NC(C)C)CC1
Canonical SMILES:
CC(NC(=O)CCc1nn2c(c1)CN(CC2)C(=O)c1ccn(n1)C(F)F)C
InChI:
InChI=1S/C17H22F2N6O2/c1-11(2)20-15(26)4-3-12-9-13-10-23(7-8-24(13)21-12)16(27)14-5-6-25(22-14)17(18)19/h5-6,9,11,17H,3-4,7-8,10H2,1-2H3,(H,20,26)
InChIKey:
MFXDYCMAMXZRLF-UHFFFAOYSA-N

Cite this record

CBID:340959 http://www.chembase.cn/molecule-340959.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{5-[1-(difluoromethyl)-1H-pyrazole-3-carbonyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-(propan-2-yl)propanamide
IUPAC Traditional name
3-{5-[1-(difluoromethyl)pyrazole-3-carbonyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-N-isopropylpropanamide
Synonyms
3-(5-{[1-(difluoromethyl)-1H-pyrazol-3-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-N-isopropylpropanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13951418 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.2069025  H Acceptors
H Donor LogD (pH = 5.5) 1.0588174 
LogD (pH = 7.4) 1.058865  Log P 1.0588655 
Molar Refractivity 116.2657 cm3 Polarizability 34.906048 Å3
Polar Surface Area 85.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -2.04  LOG S -1.54 
Polar Surface Area 85.05 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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