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TASP0390325

CAT: 0607-BA5833-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA5833-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1642187-96-9
Form
A solid
Molecular Formula
C25H30Cl2FN5O4
Molecular Weight
554.44
Shipping Conditions
Blue ice
Storage Conditions
Tightly sealed and desiccated at -20°C.

Chemical Information

2-(2-(3-Chloro-4-fluorophenyl)-6-(3-morpholinopropoxy)-4-oxopyrido[2,3-d]pyrimidin-3(4H)-yl)-N-isopropylacetamide hydroChloride
CAS Number1642187-96-9
PubChem CID86765292
IUPAC Name2-[2-(3-chloro-4-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide;hydrochloride
Molecular FormulaC25H30Cl2FN5O4
Molecular Weight554.4
Topological Polar Surface Area96.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity796
SMILES
CC(C)NC(=O)CN1C(=NC2=C(C1=O)C=C(C=N2)OCCCN3CCOCC3)C4=CC(=C(C=C4)F)Cl.Cl
InChI
InChI=1S/C25H29ClFN5O4.ClH/c1-16(2)29-22(33)15-32-24(17-4-5-21(27)20(26)12-17)30-23-19(25(32)34)13-18(14-28-23)36-9-3-6-31-7-10-35-11-8-31;/h4-5,12-14,16H,3,6-11,15H2,1-2H3,(H,29,33);1H
InChIKey
NUIXGNLBPARAII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(3-Chloro-4-fluorophenyl)-6-(3-morpholinopropoxy)-4-oxopyrido[2,3-d]pyrimidin-3(4H)-yl)-N-isopropylacetamide hydroChloride
CAS: 1642187-96-9
CID: 86765292
Formula: C25H30Cl2FN5O4
MW: 554.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight554.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass553.1658880
Monoisotopic Mass553.1658880
Topological Polar Surface Area96.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity796
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T28926-01TASP0390325

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