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5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

CAS: 1168091-68-6

Formula: C16H14FIN4O3

SMILES: OCCONC(=O)C1=C(NC2=C(F)C=C(I)C=C2)N2C=NC=C2C=C1

IUPAC: 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

InChI: InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)

Composition: C (42.12%), H (3.09%), F (4.16%), I (27.82%), N (12.28%), O (10.52%)

Molar Mass: 456.216

Atom Count: 39

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 456.00946
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey RFWVETIZUQEJEF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.27
Topological Polar Surface Area 87.89
Polarizability 37.52
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
98% <10 Days 1168091-68-6 Quote Only
Selleck Chemicals
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98% <4 Days 1168091-68-6 $51.21-$517.50$51.21$93.26$167.40$257.60$360.80$517.50
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