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N-[2-(dimethylamino)ethyl]-5-(6-oxopiperidine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

ChemBase ID: 398935
Molecular Formular: C17H26N6O3
Molecular Mass: 362.42674
Monoisotopic Mass: 362.20663872
SMILES and InChIs

SMILES:
c1(nn2c(c1)CN(C(=O)C1CNC(=O)CC1)CC2)C(=O)NCCN(C)C
Canonical SMILES:
CN(CCNC(=O)c1cc2n(n1)CCN(C2)C(=O)C1CCC(=O)NC1)C
InChI:
InChI=1S/C17H26N6O3/c1-21(2)6-5-18-16(25)14-9-13-11-22(7-8-23(13)20-14)17(26)12-3-4-15(24)19-10-12/h9,12H,3-8,10-11H2,1-2H3,(H,18,25)(H,19,24)
InChIKey:
IPYVXAQVHOGYTR-UHFFFAOYSA-N

Cite this record

CBID:398935 http://www.chembase.cn/molecule-398935.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(dimethylamino)ethyl]-5-(6-oxopiperidine-3-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC Traditional name
N-[2-(dimethylamino)ethyl]-5-(6-oxopiperidine-3-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
Synonyms
N-[2-(dimethylamino)ethyl]-5-[(6-oxopiperidin-3-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 22578665 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 13.617032  H Acceptors
H Donor LogD (pH = 5.5) -4.6241097 
LogD (pH = 7.4) -2.8755257  Log P -1.7363585 
Molar Refractivity 107.6071 cm3 Polarizability 36.48569 Å3
Polar Surface Area 99.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -3.67  LOG S -0.02 
Polar Surface Area 99.57 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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