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GSK1904529A 5mg

CAT: 0628-A10440-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A10440-5Size:5 mg
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CAS Number
1089283-49-7

Chemical Information

N-(2,6-Difluorophenyl)-5-(3-(2-(5-ethyl-4-(4-(4-(methanesulfonyl)piperazin-1-yl)piperidin-1-yl)-2-methoxyanilino)pyrimidin-4-yl)imidazo(1,2-a)pyridin-2-yl)-2-methoxybenzamide

N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamide is a member of benzamides.

CAS Number1089283-49-7
PubChem CID25124816
IUPAC NameN-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
Molecular FormulaC44H47F2N9O5S
Molecular Weight852.0
XLogP6.8
Topological Polar Surface Area155
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count61
Formal Charge0
Complexity1530
SMILES
CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F
InChI
InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
InChIKey
MOSKATHMXWSZTQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,6-Difluorophenyl)-5-(3-(2-(5-ethyl-4-(4-(4-(methanesulfonyl)piperazin-1-yl)piperidin-1-yl)-2-methoxyanilino)pyrimidin-4-yl)imidazo(1,2-a)pyridin-2-yl)-2-methoxybenzamide
CAS: 1089283-49-7
CID: 25124816
Formula: C44H47F2N9O5S
MW: 852.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight852.0
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass851.33889313
Monoisotopic Mass851.33889313
Topological Polar Surface Area155 Ų
Heavy Atom Count61
Formal Charge0
Complexity1530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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