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6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide

ChemBase ID: 370816
Molecular Formular: C17H22N4O3
Molecular Mass: 330.38158
Monoisotopic Mass: 330.16919058
SMILES and InChIs

SMILES:
n1(c2c(cc1C(=O)N)CCN(C(=O)C1CN(C(=O)C1)C1CC1)C2)C
Canonical SMILES:
O=C(N1CCc2c(C1)n(C)c(c2)C(=O)N)C1CC(=O)N(C1)C1CC1
InChI:
InChI=1S/C17H22N4O3/c1-19-13(16(18)23)6-10-4-5-20(9-14(10)19)17(24)11-7-15(22)21(8-11)12-2-3-12/h6,11-12H,2-5,7-9H2,1H3,(H2,18,23)
InChIKey:
XWKJSKUUWDCZNF-UHFFFAOYSA-N

Cite this record

CBID:370816 http://www.chembase.cn/molecule-370816.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide
IUPAC Traditional name
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-1-methyl-4H,5H,7H-pyrrolo[2,3-c]pyridine-2-carboxamide
Synonyms
6-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)carbonyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18327455 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 15.119279  H Acceptors
H Donor LogD (pH = 5.5) -1.1127433 
LogD (pH = 7.4) -1.1127429  Log P -1.1127429 
Molar Refractivity 88.4784 cm3 Polarizability 33.18713 Å3
Polar Surface Area 88.64 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.56  LOG S -2.44 
Polar Surface Area 88.64 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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