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N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide

N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide

CAS: 1421373-98-9

Formula: C27H31N7O2

SMILES: COC1=CC(N(C)CCN(C)C)=C(NC(=O)C=C)C=C1NC1=NC=CC(=N1)C1=CNC2=CC=CC=C12

IUPAC: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-5-{[4-(1H-indol-3-yl)pyrimidin-2-yl]amino}-4-methoxyphenyl)prop-2-enamide

InChI: InChI=1S/C27H31N7O2/c1-6-26(35)30-22-15-23(25(36-5)16-24(22)34(4)14-13-33(2)3)32-27-28-12-11-21(31-27)19-17-29-20-10-8-7-9-18(19)20/h6-12,15-17,29H,1,13-14H2,2-5H3,(H,30,35)(H,28,31,32)

Composition: C (66.78%), H (6.44%), N (20.19%), O (6.59%)

Molar Mass: 485.592

Atom Count: 67

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 485.253923266
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 3
InChIKey IQNVEOMHJHBNHC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 145.43
Topological Polar Surface Area 98.41
Polarizability 56.33
Ring Count 4
Rotatable Bond Count 10

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1421373-98-9 $923.00$923.00
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1421373-98-9 $42.84-$323.34$42.84$55.08$84.66$185.64$323.34
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