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STM2120

CAT: 0127-BUP09462-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09462-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2762286-04-2
Purity
=98%
Smiles
O=C1C=C(N=C2C=CC=CN12)C(=O)NCC=3N=C4C=CC=C(N4C3)C

Chemical Information

CID 168355665
CAS Number2762286-04-2
PubChem CID168355665
IUPAC NameN-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
Molecular FormulaC18H15N5O2
Molecular Weight333.3
XLogP1.4
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity708
SMILES
CC1=CC=CC2=NC(=CN12)CNC(=O)C3=CC(=O)N4C=CC=CC4=N3
InChI
InChI=1S/C18H15N5O2/c1-12-5-4-7-15-20-13(11-23(12)15)10-19-18(25)14-9-17(24)22-8-3-2-6-16(22)21-14/h2-9,11H,10H2,1H3,(H,19,25)
InChIKey
BOTBQIXFHWFWHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 168355665
CAS: 2762286-04-2
CID: 168355665
Formula: C18H15N5O2
MW: 333.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.3
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass333.12257474
Monoisotopic Mass333.12257474
Topological Polar Surface Area79.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity708
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
BA4947-1STM2120

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