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({3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}sulfamoyl)(ethyl)methylamine

({3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}sulfamoyl)(ethyl)methylamine

CAS: 1393465-84-3

Formula: C24H22F2N6O3S

SMILES: CCN(C)S(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CN=C(N=C2)C2CC2)=C(F)C=C1

IUPAC: ({3-[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}sulfamoyl)(ethyl)methylamine

InChI: InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)

Composition: C (56.24%), H (4.33%), F (7.41%), N (16.40%), O (9.36%), S (6.26%)

Molar Mass: 512.54

Atom Count: 58

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 512.144216092
Formal Charge 0
FSP3 0.25
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey DKNZQPXIIHLUHU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 129.77
Topological Polar Surface Area 120.94
Polarizability 50.85
Ring Count 5
Rotatable Bond Count 6

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1393465-84-3 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1393465-84-3 $125.24-$1,227.51$125.24$212.18$457.47$736.92$1,227.51
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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1393465-84-3 $32.10-$282.06$32.10$40.51$64.97$97.84$158.23$282.06
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