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Dextran Blue 2000

CAT: 1489-D8290-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1489-D8290-01Size:100 mg
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CAS Number
87915-38-6

Chemical Information

3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine

See also: Blue dextran (annotation moved to) ... View More ...

CAS Number87915-38-6
PubChem CID137308519
IUPAC Name3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
Molecular FormulaC25H17FN6
Molecular Weight420.4
XLogP3.9
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
CC1=CC(=CC(=C1)F)C2=CN=CC3=C2C=C(N3)C4=NNC5=CN=C(C=C54)C6=CN=CC=C6
InChI
InChI=1S/C25H17FN6/c1-14-5-16(7-17(26)6-14)20-11-28-12-23-18(20)8-22(30-23)25-19-9-21(15-3-2-4-27-10-15)29-13-24(19)31-32-25/h2-13,30H,1H3,(H,31,32)
InChIKey
QMIIBAOCSMYLOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CAS: 87915-38-6
CID: 137308519
Formula: C25H17FN6
MW: 420.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass420.14987273
Monoisotopic Mass420.14987273
Topological Polar Surface Area83.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
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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