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5-[2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]ethyl]-5,6,7,8-tetrahydro-4-oxo-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

HCID 10692722
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Basic information

CAS
163213-40-9
Standard SMILES
CC(C)(C)OC(=O)N1CCC(CCN2CCCn3nc(C(=O)O)cc3C2=O)CC1
InChIKey
KSOMLVXYQZAZGP-UHFFFAOYSA-N
Molecular formula
C20H30N4O5
Average molar mass
406.5 g/mol
Monoisotopic mass
406.22162007

Names & identifiers

Preferred name
5-[2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]ethyl]-5,6,7,8-tetrahydro-4-oxo-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
IUPAC
5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid

Names & synonyms

163213-40-95-[2-[1-[(1,1-Dimethylethoxy)carbonyl]-4-piperidinyl]ethyl]-5,6,7,8-tetrahydro-4-oxo-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acidDTXSID101101795

Database identifiers

CAS
163213-40-9
PubChem CID
10692722
DTXSID
DTXSID101101795

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Formal charge
0
Complexity
627

Related reactions

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Compound notes

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