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BI-1622

CAT: 0013-GTR19185158-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185158-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-1622
CAS Number
2681392-19-6
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
N (C=1C2=C (C=NC (=N2) N3CCN (C (C=C) =O) CC3) N=CN1) C4=CC (C) =C (OC5=CC=6N (C=C5) N=CN6) C=C4
Molecular Formula
C26H24N10O2
Molecular Weight
508.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[4-[4-[3-Methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
CAS Number2681392-19-6
PubChem CID156821237
IUPAC Name1-[4-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC26H24N10O2
Molecular Weight508.5
XLogP2.8
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity826
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(N=C32)N4CCN(CC4)C(=O)C=C)OC5=CC6=NC=NN6C=C5
InChI
InChI=1S/C26H24N10O2/c1-3-23(37)34-8-10-35(11-9-34)26-27-14-20-24(33-26)25(30-15-28-20)32-18-4-5-21(17(2)12-18)38-19-6-7-36-22(13-19)29-16-31-36/h3-7,12-16H,1,8-11H2,2H3,(H,28,30,32)
InChIKey
KXUBSQUYDKKQTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[4-[3-Methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
CAS: 2681392-19-6
CID: 156821237
Formula: C26H24N10O2
MW: 508.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.5
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass508.20837005
Monoisotopic Mass508.20837005
Topological Polar Surface Area127 Ų
Heavy Atom Count38
Formal Charge0
Complexity826
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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