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N-(5-{4-[(6-cyanopyridin-3-yl)methoxy]phenyl}-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

N-(5-{4-[(6-cyanopyridin-3-yl)methoxy]phenyl}-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

CAS: 1206101-20-3

Formula: C23H18N6O2

SMILES: O=C(NC1=NN2C(C=CC=C2C2=CC=C(OCC3=CC=C(N=C3)C#N)C=C2)=N1)C1CC1

IUPAC: N-(5-{4-[(6-cyanopyridin-3-yl)methoxy]phenyl}-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide

InChI: InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)

Composition: C (67.31%), H (4.42%), N (20.48%), O (7.80%)

Molar Mass: 410.437

Atom Count: 49

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 410.149123844
Formal Charge 0
FSP3 0.17
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey QZXABVVSCDZCLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.24
Topological Polar Surface Area 105.2
Polarizability 44.22
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1206101-20-3 $75.68-$564.89$75.68$95.55$136.83$374.56$564.89
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