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GNE-371

CAT: 0607-BA3998-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3998-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1926986-36-8
Form
A solid
Molecular Formula
C24H25N5O3
Molecular Weight
431.49
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CAS Number1926986-36-8
PubChem CID121335283
IUPAC Name6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
Molecular FormulaC24H25N5O3
Molecular Weight431.5
XLogP1.5
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity780
SMILES
CN1C=NC2=C(C=C(C=C21)C(=O)N3CCOCC3)C4=CN(C(=O)C5=C4C=CN5)CCC=C
InChI
InChI=1S/C24H25N5O3/c1-3-4-7-29-14-19(17-5-6-25-22(17)24(29)31)18-12-16(13-20-21(18)26-15-27(20)2)23(30)28-8-10-32-11-9-28/h3,5-6,12-15,25H,1,4,7-11H2,2H3
InChIKey
XJRUWGFZGQNPPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CAS: 1926986-36-8
CID: 121335283
Formula: C24H25N5O3
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass431.19573968
Monoisotopic Mass431.19573968
Topological Polar Surface Area83.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity780
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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