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4-{5-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}benzamide

4-{5-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}benzamide

CAS: 2414909-94-5

Formula: C19H16N6O

SMILES: NC(=O)C1=CC=C(C=C1)C1=C2N=C(NCC3=CC=CN=C3)C=CN2N=C1

IUPAC: 4-(5-{[(pyridin-3-yl)methyl]amino}pyrazolo[1,5-a]pyrimidin-3-yl)benzamide

InChI: InChI=1S/C19H16N6O/c20-18(26)15-5-3-14(4-6-15)16-12-23-25-9-7-17(24-19(16)25)22-11-13-2-1-8-21-10-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)

Composition: C (66.27%), H (4.68%), N (24.40%), O (4.65%)

Molar Mass: 344.378

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 344.138559159
Formal Charge 0
FSP3 0.05
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey LMGXQBQAUALFTB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.95
Topological Polar Surface Area 98.2
Polarizability 37.84
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 2414909-94-5 $61.92-$546.55$61.92$89.43$133.01$250.72$364.62$546.55
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