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5-({4'-amino-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazolin]-1-yl}carbonyl)pyridine-2-carbonitrile hydrochloride

5-({4'-amino-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazolin]-1-yl}carbonyl)pyridine-2-carbonitrile hydrochloride

CAS: 253771-21-0

Formula: C19H17ClF2N6O

SMILES: Cl.NC1=NC2(CCN(CC2)C(=O)C2=CN=C(C=C2)C#N)NC2=C(F)C=CC(F)=C12

IUPAC: 5-({4'-amino-5',8'-difluoro-1'H-spiro[piperidine-4,2'-quinazolin]-1-yl}carbonyl)pyridine-2-carbonitrile hydrochloride

InChI: InChI=1S/C19H16F2N6O.ClH/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11;/h1-4,10,25H,5-8H2,(H2,23,26);1H

Composition: C (54.49%), H (4.09%), Cl (8.46%), F (9.07%), N (20.07%), O (3.82%)

Molar Mass: 418.83

Atom Count: 46

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 418.1120432
Formal Charge 0
FSP3 0.26
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey FJFMOBYDHGJDGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.8
Topological Polar Surface Area 107.4
Polarizability 35.75
Ring Count 4
Rotatable Bond Count 1

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 253771-21-0 $504.50-$2,117.39$504.50$2,117.39
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