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M4K2234

CAT: 0127-BUP23948-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23948-02Size:5 mg
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CAS Number
2421141-51-5
Synonyms
M4K 2234, M4K-2234
Purity
≥98%
Smiles
O=C (N) C1=C (F) C=C (C=C1OC) C2=CN=CC (C3=CC=C (C=C3) N4CCN (CC4) C (C) C) =C2C

Chemical Information

2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CAS Number2421141-51-5
PubChem CID155548898
IUPAC Name2-fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
Molecular FormulaC27H31FN4O2
Molecular Weight462.6
XLogP4.2
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity663
SMILES
CC1=C(C=NC=C1C2=CC=C(C=C2)N3CCN(CC3)C(C)C)C4=CC(=C(C(=C4)F)C(=O)N)OC
InChI
InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
InChIKey
RIWTUJFFSTVYPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CAS: 2421141-51-5
CID: 155548898
Formula: C27H31FN4O2
MW: 462.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass462.24310441
Monoisotopic Mass462.24310441
Topological Polar Surface Area71.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity663
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

Alternative Products

CatalogName
BA8790-10M4K2234

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