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1-{[2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl}pyrrolidine-2-carboxylic acid

1-{[2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl}pyrrolidine-2-carboxylic acid

Formula: C16H16N4O2S

SMILES: OC(=O)C1CCCN1CC1=C(N=C2N=CC=CN12)C1=CC=CS1

IUPAC: 1-{[2-(thiophen-2-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl}pyrrolidine-2-carboxylic acid

InChI: InChI=1/C16H16N4O2S/c21-15(22)11-4-1-7-19(11)10-12-14(13-5-2-9-23-13)18-16-17-6-3-8-20(12)16/h2-3,5-6,8-9,11H,1,4,7,10H2,(H,21,22)

Composition: C (58.52%), H (4.91%), N (17.06%), O (9.74%), S (9.76%)

Molar Mass: 328.39

Atom Count: 39

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 328.099396945
Formal Charge 0
FSP3 0.31
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey RNAFWFFWEGLOEI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.23
Topological Polar Surface Area 70.73
Polarizability 34.38
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C16H16N4O2S $204.12-$306.18$204.12$306.18
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