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G-6599

CAT: 0957-E6700-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E6700-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SMARCA2/SMARCA4
CAS Number
2901806-51-5
Molecular Formula
C31H37N7O 31377

Chemical Information

2-[6-Amino-5-[8-[2-[4-(azepan-1-yl)but-1-yn-1-yl]pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CAS Number2901806-51-5
PubChem CID167466932
IUPAC Name2-[6-amino-5-[8-[2-[4-(azepan-1-yl)but-1-ynyl]-4-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
Molecular FormulaC31H37N7O
Molecular Weight523.7
XLogP4
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity836
SMILES
C1CCCN(CC1)CCC#CC2=NC=CC(=C2)N3C4CCC3CN(C4)C5=CC(=NN=C5N)C6=CC=CC=C6O
InChI
InChI=1S/C31H37N7O/c32-31-29(20-28(34-35-31)27-10-3-4-11-30(27)39)37-21-25-12-13-26(22-37)38(25)24-14-15-33-23(19-24)9-5-8-18-36-16-6-1-2-7-17-36/h3-4,10-11,14-15,19-20,25-26,39H,1-2,6-8,12-13,16-18,21-22H2,(H2,32,35)
InChIKey
FUAWFGGYXBISCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[6-Amino-5-[8-[2-[4-(azepan-1-yl)but-1-yn-1-yl]pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CAS: 2901806-51-5
CID: 167466932
Formula: C31H37N7O
MW: 523.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass523.30595883
Monoisotopic Mass523.30595883
Topological Polar Surface Area94.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity836
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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