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1-{[2-(furan-2-yl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methyl}piperidine-4-carboxylic acid

1-{[2-(furan-2-yl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methyl}piperidine-4-carboxylic acid

CAS: 904817-98-7

Formula: C18H18N4O5

SMILES: OC(=O)C1CCN(CC2=C(N=C3C=CC(=CN23)[N+]([O-])=O)C2=CC=CO2)CC1

IUPAC: 1-{[2-(furan-2-yl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methyl}piperidine-4-carboxylic acid

InChI: InChI=1S/C18H18N4O5/c23-18(24)12-5-7-20(8-6-12)11-14-17(15-2-1-9-27-15)19-16-4-3-13(22(25)26)10-21(14)16/h1-4,9-10,12H,5-8,11H2,(H,23,24)

Composition: C (58.37%), H (4.90%), N (15.13%), O (21.60%)

Molar Mass: 370.365

Atom Count: 45

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 370.127719696
Formal Charge 0
FSP3 0.33
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey GDJZDIGBPAZGQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.21
Topological Polar Surface Area 114.12
Polarizability 37.22
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 904817-98-7 $170.10-$255.15$170.10$255.15
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